 Entering Gaussian System, Link 0=g16
 Input=19_methylcyclohexanone_Boat_STD_B3LYPDBJ-def2SVPDr.in
 Output=19_methylcyclohexanone_Boat_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/19_methylcyclohexanone_Boat_STD/Gau-1734.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/19_methylcyclohexanone_Boat_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      1737.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=19_methylcyclohexanone_Boat_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "19_methylcyclohexanone_Boat_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.598849000000      0.704366000000     -0.206529000000
  C                                                 1.101228000000     -0.711991000000      0.043642000000
  C                                                -0.113250000000     -0.805140000000      0.936088000000
  C                                                -1.304166000000      0.036131000000      0.404859000000
  O                                                 1.645599000000     -1.677610000000     -0.439886000000
  H                                                 1.880909000000      0.764552000000     -1.260050000000
  H                                                 2.521567000000      0.833636000000      0.367502000000
  H                                                 0.189114000000     -0.415856000000      1.914189000000
  H                                                -0.387393000000     -1.851222000000      1.064625000000
  H                                                -1.882232000000      0.353357000000      1.276987000000
  C                                                -2.214659000000     -0.802663000000     -0.488897000000
  H                                                -1.657245000000     -1.206857000000     -1.337618000000
  H                                                -3.035477000000     -0.200152000000     -0.884181000000
  H                                                -2.645488000000     -1.642727000000      0.058923000000
  C                                                 0.553737000000      1.766949000000      0.148811000000
  C                                                -0.819914000000      1.303231000000     -0.333141000000
  H                                                 0.822669000000      2.721592000000     -0.306662000000
  H                                                 0.531382000000      1.936615000000      1.229376000000
  H                                                -0.749828000000      1.087440000000     -1.405242000000
  H                                                -1.563723000000      2.095209000000     -0.227759000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1          12          12           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           0           0           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.598849    0.704366   -0.206529
      2          6           0        1.101228   -0.711991    0.043642
      3          6           0       -0.113250   -0.805140    0.936088
      4          6           0       -1.304166    0.036131    0.404859
      5          8           0        1.645599   -1.677610   -0.439886
      6          1           0        1.880909    0.764552   -1.260050
      7          1           0        2.521567    0.833636    0.367502
      8          1           0        0.189114   -0.415856    1.914189
      9          1           0       -0.387393   -1.851222    1.064625
     10          1           0       -1.882232    0.353357    1.276987
     11          6           0       -2.214659   -0.802663   -0.488897
     12          1           0       -1.657245   -1.206857   -1.337618
     13          1           0       -3.035477   -0.200152   -0.884181
     14          1           0       -2.645488   -1.642727    0.058923
     15          6           0        0.553737    1.766949    0.148811
     16          6           0       -0.819914    1.303231   -0.333141
     17          1           0        0.822669    2.721592   -0.306662
     18          1           0        0.531382    1.936615    1.229376
     19          1           0       -0.749828    1.087440   -1.405242
     20          1           0       -1.563723    2.095209   -0.227759
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.521933   0.000000
     3  C    2.552541   1.509998   0.000000
     4  C    3.041024   2.544815   1.551845   0.000000
     5  O    2.393836   1.209363   2.397511   3.514487   0.000000
     6  H    1.092285   2.118418   3.356132   3.667045   2.586928
     7  H    1.094363   2.123961   3.154542   3.908151   2.779488
     8  H    2.782031   2.102045   1.095284   2.170773   3.042210
     9  H    3.477358   2.134536   1.089020   2.199515   2.535104
    10  H    3.800257   3.399579   2.141874   1.093343   4.417926
    11  C    4.110196   3.359602   2.538997   1.526883   3.958475
    12  H    3.941356   3.124411   2.777595   2.169311   3.454896
    13  H    4.770151   4.270265   3.495540   2.171380   4.928768
    14  H    4.857335   3.860620   2.807704   2.176552   4.320122
    15  C    1.532191   2.540856   2.771339   2.552077   3.661108
    16  C    2.495012   2.809603   2.560380   1.544243   3.869827
    17  H    2.163720   3.462629   3.854635   3.498770   4.477493
    18  H    2.172498   2.957330   2.831747   2.767834   4.134070
    19  H    2.664572   2.960342   3.077161   2.165411   3.783581
    20  H    3.454961   3.880205   3.445350   2.169649   4.957712
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.750469   0.000000
     8  H    3.785674   3.064932   0.000000
     9  H    4.170322   4.019514   1.764765   0.000000
    10  H    4.557068   4.522309   2.299606   2.672042   0.000000
    11  C    4.452473   5.083575   3.420901   2.617596   2.136641
    12  H    4.051050   4.953132   3.822169   2.792580   3.053039
    13  H    5.024220   5.789315   4.274973   3.679161   2.511373
    14  H    5.293671   5.738123   3.603081   2.480705   2.459795
    15  C    2.179696   2.188893   2.830927   3.849104   3.033969
    16  C    2.905818   3.446290   3.003979   3.477269   2.150184
    17  H    2.420501   2.627761   3.895786   4.924968   3.928482
    18  H    3.064669   2.433151   2.473911   3.901154   2.886954
    19  H    2.654452   3.729486   3.762995   3.855819   3.002594
    20  H    3.834288   4.316885   3.737088   4.316054   2.323738
                   11         12         13         14         15
    11  C    0.000000
    12  H    1.092891   0.000000
    13  H    1.092250   1.765951   0.000000
    14  H    1.091525   1.765484   1.767076   0.000000
    15  C    3.830613   3.992673   4.221258   4.676431   0.000000
    16  C    2.530684   2.830307   2.733592   3.487851   1.527818
    17  H    4.656065   4.758735   4.873952   5.586506   1.091386
    18  H    4.242269   4.610961   4.664266   4.926881   1.094032
    19  H    2.560841   2.468153   2.674619   3.631958   2.139181
    20  H    2.981539   3.484849   2.804573   3.901867   2.175591
                   16         17         18         19         20
    16  C    0.000000
    17  H    2.170375   0.000000
    18  H    2.160703   1.749414   0.000000
    19  H    1.095846   2.519936   3.050215   0.000000
    20  H    1.091598   2.468491   2.556924   1.750568   0.000000
 Stoichiometry    C7H12O
 Framework group  C1[X(C7H12O)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 4.83D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.598849    0.704366   -0.206529
      2          6           0        1.101228   -0.711991    0.043642
      3          6           0       -0.113250   -0.805140    0.936088
      4          6           0       -1.304166    0.036131    0.404859
      5          8           0        1.645599   -1.677610   -0.439886
      6          1           0        1.880909    0.764551   -1.260050
      7          1           0        2.521567    0.833635    0.367502
      8          1           0        0.189114   -0.415856    1.914189
      9          1           0       -0.387393   -1.851222    1.064625
     10          1           0       -1.882232    0.353357    1.276987
     11          6           0       -2.214659   -0.802663   -0.488897
     12          1           0       -1.657245   -1.206857   -1.337618
     13          1           0       -3.035477   -0.200151   -0.884181
     14          1           0       -2.645488   -1.642726    0.058923
     15          6           0        0.553737    1.766949    0.148811
     16          6           0       -0.819914    1.303231   -0.333141
     17          1           0        0.822670    2.721592   -0.306662
     18          1           0        0.531383    1.936615    1.229376
     19          1           0       -0.749828    1.087440   -1.405242
     20          1           0       -1.563722    2.095209   -0.227759
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.6603753           2.0000547           1.3560924
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      8      9     10     12     13     14     17     18
 Centers:      19     20
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4     11     15     16
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   275 symmetry adapted cartesian basis functions of A   symmetry.
 There are   259 symmetry adapted basis functions of A   symmetry.
   259 basis functions,   379 primitive gaussians,   275 cartesian basis functions
    31 alpha electrons       31 beta electrons
       nuclear repulsion energy       391.2914351105 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0323137010 Hartrees.
 Nuclear repulsion after empirical dispersion term =      391.2591214095 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:              14.6 elap:               2.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   259 RedAO= T EigKep=  4.87D-05  NBF=   259
 NBsUse=   259 1.00D-06 EigRej= -1.00D+00 NBFU=   259
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   275   275   275   275   275 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Fri Jul 16 13:10:09 2021, MaxMem=  5637144576 cpu:              18.2 elap:               2.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:09 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "19_methylcyclohexanone_Boat_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:10 2021, MaxMem=  5637144576 cpu:               3.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636988312 LenY=  5636912246
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -348.997043031676    
 DIIS: error= 2.61D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -348.997043031676     IErMin= 1 ErrMin= 2.61D-03
 ErrMax= 2.61D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.38D-03 BMatP= 6.38D-03
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.61D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.220 Goal=   None    Shift=    0.000
 GapD=    0.220 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=6.10D-03 MaxDP=2.63D-01              OVMax= 1.58D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.06D-03    CP:  1.04D+00
 E= -349.002643420995     Delta-E=       -0.005600389319 Rises=F Damp=F
 DIIS: error= 1.16D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -349.002643420995     IErMin= 2 ErrMin= 1.16D-03
 ErrMax= 1.16D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.54D-04 BMatP= 6.38D-03
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.16D-02
 Coeff-Com:  0.483D-01 0.952D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.477D-01 0.952D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=2.73D-04 MaxDP=9.56D-03 DE=-5.60D-03 OVMax= 9.15D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.10D-04    CP:  1.04D+00  1.03D+00
 E= -349.002365987741     Delta-E=        0.000277433254 Rises=F Damp=F
 DIIS: error= 1.65D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -349.002643420995     IErMin= 2 ErrMin= 1.16D-03
 ErrMax= 1.65D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.44D-04 BMatP= 2.54D-04
 IDIUse=3 WtCom= 1.97D-01 WtEn= 8.03D-01
 Coeff-Com: -0.115D-01 0.622D+00 0.389D+00
 Coeff-En:   0.000D+00 0.671D+00 0.329D+00
 Coeff:     -0.226D-02 0.661D+00 0.341D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.05D-04 MaxDP=5.21D-03 DE= 2.77D-04 OVMax= 6.00D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.03D-05    CP:  1.04D+00  1.03D+00  6.41D-01
 E= -349.002848172528     Delta-E=       -0.000482184787 Rises=F Damp=F
 DIIS: error= 1.90D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -349.002848172528     IErMin= 4 ErrMin= 1.90D-04
 ErrMax= 1.90D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-05 BMatP= 2.54D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.90D-03
 Coeff-Com: -0.920D-02 0.330D+00 0.188D+00 0.491D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.918D-02 0.330D+00 0.187D+00 0.492D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=2.86D-05 MaxDP=9.10D-04 DE=-4.82D-04 OVMax= 7.25D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.48D-05    CP:  1.04D+00  1.03D+00  5.80D-01  9.41D-01
 E= -349.002862341510     Delta-E=       -0.000014168982 Rises=F Damp=F
 DIIS: error= 2.59D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -349.002862341510     IErMin= 5 ErrMin= 2.59D-05
 ErrMax= 2.59D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.98D-07 BMatP= 1.41D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.215D-02 0.462D-01 0.298D-01 0.156D+00 0.770D+00
 Coeff:     -0.215D-02 0.462D-01 0.298D-01 0.156D+00 0.770D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.03D-05 MaxDP=3.76D-04 DE=-1.42D-05 OVMax= 1.41D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.52D-06    CP:  1.04D+00  1.03D+00  5.88D-01  9.29D-01  8.40D-01
 E= -349.002862713399     Delta-E=       -0.000000371889 Rises=F Damp=F
 DIIS: error= 7.71D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -349.002862713399     IErMin= 6 ErrMin= 7.71D-06
 ErrMax= 7.71D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.54D-08 BMatP= 3.98D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.396D-03 0.609D-04 0.245D-02 0.359D-01 0.349D+00 0.613D+00
 Coeff:     -0.396D-03 0.609D-04 0.245D-02 0.359D-01 0.349D+00 0.613D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=2.75D-06 MaxDP=5.13D-05 DE=-3.72D-07 OVMax= 4.31D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.69D-06    CP:  1.04D+00  1.03D+00  5.91D-01  9.33D-01  8.77D-01
                    CP:  7.55D-01
 E= -349.002862764932     Delta-E=       -0.000000051533 Rises=F Damp=F
 DIIS: error= 1.91D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -349.002862764932     IErMin= 7 ErrMin= 1.91D-06
 ErrMax= 1.91D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.09D-09 BMatP= 5.54D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.102D-03-0.167D-02 0.555D-04 0.947D-02 0.128D+00 0.288D+00
 Coeff-Com:  0.576D+00
 Coeff:     -0.102D-03-0.167D-02 0.555D-04 0.947D-02 0.128D+00 0.288D+00
 Coeff:      0.576D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=5.72D-07 MaxDP=1.35D-05 DE=-5.15D-08 OVMax= 1.22D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.49D-07    CP:  1.04D+00  1.03D+00  5.91D-01  9.35D-01  8.84D-01
                    CP:  7.41D-01  8.53D-01
 E= -349.002862768073     Delta-E=       -0.000000003141 Rises=F Damp=F
 DIIS: error= 4.09D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -349.002862768073     IErMin= 8 ErrMin= 4.09D-07
 ErrMax= 4.09D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-10 BMatP= 3.09D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.233D-05-0.591D-03-0.150D-03 0.350D-04 0.153D-01 0.468D-01
 Coeff-Com:  0.192D+00 0.746D+00
 Coeff:     -0.233D-05-0.591D-03-0.150D-03 0.350D-04 0.153D-01 0.468D-01
 Coeff:      0.192D+00 0.746D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.29D-07 MaxDP=2.90D-06 DE=-3.14D-09 OVMax= 2.36D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.02D-07    CP:  1.04D+00  1.03D+00  5.91D-01  9.35D-01  8.85D-01
                    CP:  7.47D-01  8.60D-01  8.76D-01
 E= -349.002862768148     Delta-E=       -0.000000000075 Rises=F Damp=F
 DIIS: error= 1.08D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -349.002862768148     IErMin= 9 ErrMin= 1.08D-07
 ErrMax= 1.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.42D-12 BMatP= 1.07D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.480D-05-0.147D-03-0.488D-04-0.549D-03-0.960D-03 0.292D-02
 Coeff-Com:  0.461D-01 0.309D+00 0.644D+00
 Coeff:      0.480D-05-0.147D-03-0.488D-04-0.549D-03-0.960D-03 0.292D-02
 Coeff:      0.461D-01 0.309D+00 0.644D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=3.93D-08 MaxDP=1.05D-06 DE=-7.53D-11 OVMax= 6.13D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.05D-08    CP:  1.04D+00  1.03D+00  5.91D-01  9.35D-01  8.84D-01
                    CP:  7.47D-01  8.66D-01  8.83D-01  6.96D-01
 E= -349.002862768176     Delta-E=       -0.000000000028 Rises=F Damp=F
 DIIS: error= 2.23D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -349.002862768176     IErMin=10 ErrMin= 2.23D-08
 ErrMax= 2.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.51D-13 BMatP= 9.42D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.176D-05-0.336D-04-0.569D-05-0.202D-03-0.807D-03-0.375D-03
 Coeff-Com:  0.101D-01 0.863D-01 0.236D+00 0.669D+00
 Coeff:      0.176D-05-0.336D-04-0.569D-05-0.202D-03-0.807D-03-0.375D-03
 Coeff:      0.101D-01 0.863D-01 0.236D+00 0.669D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=5.78D-09 MaxDP=1.59D-07 DE=-2.79D-11 OVMax= 1.19D-07

 SCF Done:  E(RB3LYP) =  -349.002862768     A.U. after   10 cycles
            NFock= 10  Conv=0.58D-08     -V/T= 2.0115
 KE= 3.450374495157D+02 PE=-1.591422180105D+03 EE= 5.061227464117D+02
 Leave Link  502 at Fri Jul 16 13:11:28 2021, MaxMem=  5637144576 cpu:             616.2 elap:              77.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   259
 NBasis=   259 NAE=    31 NBE=    31 NFC=     0 NFV=     0
 NROrb=    259 NOA=    31 NOB=    31 NVA=   228 NVB=   228

 **** Warning!!: The largest alpha MO coefficient is  0.35808897D+02

 Leave Link  801 at Fri Jul 16 13:11:28 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6052 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 3.58D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 1.81D-01 6.39D-02.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 3.00D-02 1.99D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.80D-03 9.27D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 4.24D-05 1.26D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 8.97D-07 1.48D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 1.63D-08 2.17D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 1.65D-10 2.80D-06.
      9 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 1.22D-12 2.55D-07.
      5 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 1.04D-14 1.94D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   102 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.918800D+02
      2  0.369232D+00  0.905324D+02
      3 -0.204294D+01  0.696500D+00  0.754543D+02
 Isotropic polarizability for W=    0.093368       85.96 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.418254D+02 -0.200288D+02 -0.203754D+02
      2   0.251568D+02  0.265142D+02  0.279602D+01
      3   0.166686D+02 -0.648546D+01  0.175794D+02
      4   0.587269D+01 -0.507015D+01  0.137722D+02
      5  -0.179155D+02  0.957433D+01 -0.247827D+02
      6   0.986803D+01 -0.436097D+01  0.155242D+02
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.404926D+01  0.264918D+01 -0.757097D+01
      2  -0.144051D+02  0.505948D+01 -0.135368D+02
      3   0.152817D+02  0.819118D+01  0.133350D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.419786D+01 -0.715699D+01 -0.220096D+02
      2  -0.245992D+01  0.390416D+01 -0.414513D+02
      3   0.259015D+02  0.302270D+02  0.293706D+00
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.214702D+01  0.173686D+01 -0.144120D+01
      2   0.173686D+01 -0.381844D+00 -0.666307D-01
      3  -0.144120D+01 -0.666307D-01  0.578535D+00
 OR G Eigenvalues:    -1.4770     0.2065     3.6142  Iso=    -0.7812
 Eigenvectors:
   (1)  -0.511980   0.791698  -0.333303
   (2)   0.197300   0.486022   0.851384
   (3)   0.836032   0.370131  -0.405036
 w=    0.093368 a.u., Optical Rotation Beta=     -0.7812 au.
 Molar Mass =    112.1712 grams/mole, [Alpha] ( 4880.0 A) =     -392.56 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   33670 ScalPx= 2.20D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   33670 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.91D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.96D-14 2.78D-09 XBig12= 1.00D+00 3.56D-01.
     30 vectors produced by pass  1 Test12= 1.96D-14 2.78D-09 XBig12= 5.68D-02 3.35D-02.
     30 vectors produced by pass  2 Test12= 1.96D-14 2.78D-09 XBig12= 1.34D-03 6.18D-03.
     30 vectors produced by pass  3 Test12= 1.96D-14 2.78D-09 XBig12= 9.49D-06 3.61D-04.
     30 vectors produced by pass  4 Test12= 1.96D-14 2.78D-09 XBig12= 3.57D-08 1.82D-05.
     30 vectors produced by pass  5 Test12= 1.96D-14 2.78D-09 XBig12= 8.02D-11 1.03D-06.
     29 vectors produced by pass  6 Test12= 1.96D-14 2.78D-09 XBig12= 1.49D-13 5.93D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   209 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   33670 ScalPx= 9.65D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   33670 ScalPx= 9.65D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   33670 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 4.57D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.918800D+02  0.369232D+00 -0.204294D+01
      2   0.369232D+00  0.905324D+02  0.696500D+00
      3  -0.204294D+01  0.696500D+00  0.754543D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.404926D+01  0.264918D+01 -0.757097D+01
      2  -0.144051D+02  0.505948D+01 -0.135368D+02
      3   0.152817D+02  0.819118D+01  0.133350D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.418254D+02 -0.200288D+02 -0.203754D+02
      2   0.251568D+02  0.265142D+02  0.279602D+01
      3   0.166686D+02 -0.648546D+01  0.175794D+02
      4   0.587269D+01 -0.507015D+01  0.137722D+02
      5  -0.179155D+02  0.957433D+01 -0.247827D+02
      6   0.986803D+01 -0.436097D+01  0.155242D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.528560D+01 -0.239201D+01 -0.166805D+01 -0.946680D+00  0.256800D+01
      2  -0.239201D+01 -0.238846D+00 -0.303226D+00  0.256800D+01  0.240675D+01
      3  -0.166805D+01 -0.303226D+00 -0.269650D+01 -0.480131D+00 -0.181725D+01
                 6             7             8             9            10 
      1  -0.480131D+00 -0.246417D+01 -0.494128D+00 -0.360111D+01  0.753277D+00
      2  -0.181725D+01 -0.494128D+00 -0.110446D+01 -0.779618D+00  0.295547D+01
      3  -0.135664D+00 -0.360111D+01 -0.779618D+00  0.495743D+01  0.140915D-01
                11            12            13            14            15 
      1   0.295547D+01  0.140915D-01  0.192671D+01 -0.451169D+01 -0.901926D+00
      2  -0.405182D+01 -0.142454D+01 -0.451169D+01 -0.136543D+00  0.353907D+01
      3  -0.142454D+01  0.131793D+01 -0.901926D+00  0.353907D+01  0.102939D+01
                16            17            18            19            20 
      1   0.141349D+01 -0.200645D+01  0.718595D+00  0.213729D+01 -0.277664D+01
      2  -0.200645D+01  0.336882D+01  0.161145D+01 -0.277664D+01  0.349560D+01
      3   0.718595D+00  0.161145D+01 -0.402080D+00  0.147166D+01 -0.743407D+00
                21            22            23            24            25 
      1   0.147166D+01 -0.346401D+01  0.327322D+01 -0.110244D+01  0.666654D+00
      2  -0.743407D+00  0.327322D+01  0.591485D+01 -0.225091D+01 -0.711448D+00
      3  -0.207874D+01 -0.110244D+01 -0.225091D+01 -0.196396D+01 -0.141320D+01
                26            27            28            29            30 
      1  -0.711448D+00 -0.141320D+01 -0.254767D+01  0.253903D+01 -0.139354D+01
      2  -0.128548D+01 -0.187622D+01  0.253903D+01 -0.189349D+01  0.303415D+01
      3  -0.187622D+01 -0.375307D+01 -0.139354D+01  0.303415D+01  0.268297D+01
                31            32            33            34            35 
      1   0.411417D+01 -0.216003D+01  0.273335D+01 -0.188695D+01  0.384856D+01
      2  -0.216003D+01 -0.264879D+01  0.909232D+00  0.384856D+01  0.171220D+01
      3   0.273335D+01  0.909232D+00 -0.643209D+00  0.300301D+01 -0.115269D+01
                36            37            38            39            40 
      1   0.300301D+01  0.511465D+01 -0.442425D+01 -0.153474D+01 -0.438605D+01
      2  -0.115269D+01 -0.442425D+01  0.400538D+01  0.814584D+00  0.523818D+01
      3  -0.420287D+01 -0.153474D+01  0.814584D+00  0.636651D+00  0.121959D+01
                41            42            43            44            45 
      1   0.523818D+01  0.121959D+01 -0.233252D+01  0.163811D+01  0.192917D+01
      2  -0.102063D+02 -0.318291D+01  0.163811D+01 -0.334886D+01 -0.377462D+01
      3  -0.318291D+01 -0.210610D+01  0.192917D+01 -0.377462D+01 -0.271394D+01
                46            47            48            49            50 
      1   0.213094D+01  0.756045D+00 -0.148383D+01  0.228614D+00  0.211491D+00
      2   0.756045D+00  0.630120D+00 -0.253080D+00  0.211491D+00  0.112589D+00
      3  -0.148383D+01 -0.253080D+00  0.148480D+01  0.116916D+00 -0.858460D+00
                51            52            53            54            55 
      1   0.116916D+00 -0.257674D+01 -0.233050D+00  0.307086D+01  0.889213D+01
      2  -0.858460D+00 -0.233050D+00 -0.174843D+01  0.108193D+01  0.203624D+01
      3   0.323953D+00  0.307086D+01  0.108193D+01 -0.708304D+01  0.230892D+01
                56            57            58            59            60 
      1   0.203624D+01  0.230892D+01  0.698142D+00  0.960998D+00  0.293832D+00
      2   0.183056D+01  0.405268D+00  0.960998D+00  0.867080D+00  0.817925D+00
      3   0.405268D+00  0.176057D+01  0.293832D+00  0.817925D+00  0.307107D+00
                61            62            63            64            65 
      1   0.390479D+01  0.676788D+00  0.244330D+01  0.433003D+00  0.645849D+00
      2   0.676788D+00  0.148300D+01  0.848675D+00  0.645849D+00 -0.282964D-01
      3   0.244330D+01  0.848675D+00  0.140825D+01  0.105808D+01  0.155885D+00
                66            67            68            69            70 
      1   0.105808D+01  0.165043D+01 -0.252739D+00  0.106054D+00  0.143868D+01
      2   0.155885D+00 -0.252739D+00  0.718882D+00  0.132250D+01  0.233442D+00
      3   0.194122D+01  0.106054D+00  0.132250D+01  0.186617D+01  0.102937D+01
                71            72            73            74            75 
      1   0.233442D+00  0.102937D+01 -0.109781D+01 -0.110268D+01  0.771500D-01
      2   0.124759D+01  0.899238D+00 -0.110268D+01 -0.138500D+01  0.470368D+00
      3   0.899238D+00  0.835661D+01  0.771500D-01  0.470368D+00 -0.233906D+00
                76            77            78            79            80 
      1  -0.172897D+01 -0.152765D+01  0.403383D+00 -0.256757D-01  0.218404D+00
      2  -0.152765D+01 -0.834235D+01  0.240736D+01  0.218404D+00  0.817084D+00
      3   0.403383D+00  0.240736D+01 -0.164813D+01 -0.128859D+00 -0.116256D+01
                81            82            83            84            85 
      1  -0.128859D+00 -0.360651D+01  0.426700D+00  0.250442D+01  0.790487D+00
      2  -0.116256D+01  0.426700D+00 -0.837930D+00 -0.102687D+01 -0.796459D+00
      3   0.140230D+01  0.250442D+01 -0.102687D+01 -0.302835D+01 -0.109297D+01
                86            87            88            89            90 
      1  -0.796459D+00 -0.109297D+01  0.321681D+01 -0.105078D+01 -0.306078D+01
      2   0.145626D+01  0.122938D+01 -0.105078D+01  0.125887D+01  0.122967D+01
      3   0.122938D+01  0.158091D+01 -0.306078D+01  0.122967D+01  0.596810D+01
                91            92            93            94            95 
      1   0.340609D+01 -0.188342D+01  0.131191D+01 -0.335122D+01  0.284428D+01
      2  -0.188342D+01  0.190992D+01 -0.381362D+01  0.284428D+01  0.306489D+01
      3   0.131191D+01 -0.381362D+01 -0.143275D+01 -0.447105D+01 -0.127056D+01
                96            97            98            99           100 
      1  -0.447105D+01  0.588956D+00 -0.460937D+01 -0.958313D+00  0.144684D+01
      2  -0.127056D+01 -0.460937D+01 -0.211433D+01  0.170853D+01 -0.148592D+00
      3   0.100284D+01 -0.958313D+00  0.170853D+01  0.276051D+01 -0.100630D+01
               101           102           103           104           105 
      1  -0.148592D+00 -0.100630D+01 -0.442424D+00 -0.916274D-02  0.602209D+00
      2   0.993733D+00  0.114120D+01 -0.916274D-02 -0.192554D+01 -0.131360D+01
      3   0.114120D+01  0.214163D+01  0.602209D+00 -0.131360D+01 -0.166211D+01
               106           107           108           109           110 
      1  -0.160025D+01  0.478997D+00  0.590201D+00 -0.739549D+01  0.164551D+01
      2   0.478997D+00 -0.159801D+01 -0.198811D+01  0.164551D+01 -0.173125D+01
      3   0.590201D+00 -0.198811D+01 -0.504785D+01 -0.247580D+01  0.926510D+00
               111           112           113           114           115 
      1  -0.247580D+01  0.401875D+01 -0.185924D+01  0.171384D+01 -0.231488D+01
      2   0.926510D+00 -0.185924D+01  0.168706D+01 -0.662643D+00  0.976272D+00
      3  -0.153614D+01  0.171384D+01 -0.662643D+00  0.117964D+01 -0.196476D+01
               116           117           118           119           120 
      1   0.976272D+00 -0.196476D+01 -0.322264D+01 -0.207734D+01  0.689104D+00
      2  -0.486230D+00  0.464671D+00 -0.207734D+01 -0.234909D+01  0.974671D+00
      3   0.464671D+00 -0.192370D+01  0.689104D+00  0.974671D+00 -0.660526D+00
               121           122           123           124           125 
      1  -0.271939D+01 -0.340810D+01  0.106159D+01  0.201163D+01  0.184685D+01
      2  -0.340810D+01 -0.598458D+01  0.149395D+01  0.184685D+01  0.268746D+01
      3   0.106159D+01  0.149395D+01 -0.153406D+01 -0.858257D+00 -0.165262D+01
               126           127           128           129           130 
      1  -0.858257D+00  0.211162D+01  0.201740D+01  0.160844D+01  0.235760D+01
      2  -0.165262D+01  0.201740D+01 -0.258187D+01  0.608499D+00 -0.324638D+01
      3   0.150395D+01  0.160844D+01  0.608499D+00  0.337086D-01  0.737349D+00
               131           132           133           134           135 
      1  -0.324638D+01  0.737349D+00  0.164304D+01  0.922245D+00 -0.290412D-01
      2  -0.500940D+01  0.209216D+01  0.922245D+00  0.342223D+01 -0.272651D+01
      3   0.209216D+01 -0.161094D+01 -0.290412D-01 -0.272651D+01 -0.652134D+01
               136           137           138           139           140 
      1   0.435713D+00 -0.387589D+01 -0.665188D+00 -0.386570D+01  0.412865D+01
      2  -0.387589D+01  0.387275D+01 -0.111416D+01  0.412865D+01  0.307196D+00
      3  -0.665188D+00 -0.111416D+01 -0.150748D+00 -0.948883D+00 -0.986320D+00
               141           142           143           144           145 
      1  -0.948883D+00 -0.110262D+01 -0.697912D+00 -0.198857D+00  0.115354D+01
      2  -0.986320D+00 -0.697912D+00 -0.234565D+01  0.146937D+01  0.163340D+01
      3   0.177712D+01 -0.198857D+00  0.146937D+01  0.655270D+01 -0.718912D+00
               146           147           148           149           150 
      1   0.163340D+01 -0.718912D+00  0.169636D+01  0.236629D+01 -0.389242D+00
      2   0.217126D+01 -0.387888D+00  0.236629D+01  0.106029D+02 -0.184728D+01
      3  -0.387888D+00  0.242045D+00 -0.389242D+00 -0.184728D+01  0.136240D+01
               151           152           153           154           155 
      1  -0.110179D+01 -0.761945D+00  0.475800D+00 -0.261640D+00  0.106665D+00
      2  -0.761945D+00 -0.341689D+01  0.205444D+01  0.106665D+00  0.220719D+00
      3   0.475800D+00  0.205444D+01 -0.597643D+00  0.826861D+00 -0.100896D+00
               156           157           158           159           160 
      1   0.826861D+00  0.609175D-01  0.403308D+00  0.197110D-01  0.160049D+01
      2  -0.100896D+00  0.403308D+00  0.181130D+01  0.135693D+01  0.120007D+00
      3  -0.881097D-01  0.197110D-01  0.135693D+01  0.132007D+01  0.449983D+00
               161           162           163           164           165 
      1   0.120007D+00  0.449983D+00  0.399974D+00  0.431982D+00 -0.777033D+00
      2   0.214375D+01  0.272202D+01  0.431982D+00 -0.196911D+00  0.162470D+00
      3   0.272202D+01  0.769540D+01 -0.777033D+00  0.162470D+00  0.367226D+00
               166           167           168           169           170 
      1  -0.177266D+00 -0.559614D+00  0.211122D-01 -0.172479D+01 -0.312148D+00
      2  -0.559614D+00 -0.449421D+00 -0.830547D+00 -0.312148D+00 -0.140147D+01
      3   0.211122D-01 -0.830547D+00 -0.102880D+01 -0.706283D+00  0.260062D+00
               171           172           173           174           175 
      1  -0.706283D+00 -0.499771D+01  0.348653D+01 -0.147233D+00  0.353953D+01
      2   0.260062D+00  0.348653D+01 -0.383552D+01  0.474083D+00 -0.366335D+01
      3  -0.784572D+01 -0.147233D+00  0.474083D+00 -0.702986D+00  0.357714D+00
               176           177           178           179           180 
      1  -0.366335D+01  0.357714D+00  0.645851D+00 -0.824513D-01 -0.790809D+00
      2   0.575325D+01 -0.148018D+00 -0.824513D-01  0.708820D+00  0.762892D+00
      3  -0.148018D+00  0.583363D+00 -0.790809D+00  0.762892D+00 -0.513990D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.175757D+01  0.516597D+00  0.725356D+00 -0.993265D+00 -0.382861D+00
      2  -0.631807D+01 -0.124637D+01 -0.651160D+01  0.103862D+01 -0.261923D+01
      3   0.483890D+01 -0.866090D+01 -0.360131D+01 -0.422586D+01 -0.275132D+01
                 6             7             8             9            10 
      1  -0.375986D+01  0.143470D+01  0.516182D+01 -0.347969D+01  0.418164D+01
      2   0.176502D+01 -0.131942D+02 -0.358441D+01  0.940188D+01 -0.150997D+02
      3   0.519172D+01 -0.505757D+01  0.205119D+01  0.167392D-01 -0.528473D+01
                11            12            13            14            15 
      1   0.386097D+01 -0.254121D+01  0.418877D+01 -0.135553D+01  0.731891D+01
      2  -0.723883D+01  0.378146D+01 -0.557272D+01  0.745197D+01 -0.202347D+01
      3  -0.630213D+01  0.310946D+01  0.294955D+00  0.299239D+01 -0.861326D+01
                16            17            18            19            20 
      1  -0.567093D+00  0.141149D+02  0.131616D+01 -0.463432D+01  0.246072D+01
      2  -0.125845D+02 -0.394145D+01  0.970851D+01 -0.461724D+01  0.657289D+01
      3  -0.216321D+01 -0.972120D+01  0.428783D+00  0.176968D+01  0.108180D+01
                21            22            23            24            25 
      1  -0.410822D+01  0.271260D+01  0.459686D+01 -0.830514D+01 -0.410517D+01
      2   0.269501D+01  0.804329D+01 -0.529807D+01  0.441843D+01 -0.942488D+01
      3  -0.220640D+01  0.672579D+01 -0.684543D+01  0.265944D+01 -0.271932D+01
                26            27            28            29            30 
      1  -0.294357D+01 -0.680800D+01  0.361051D+01 -0.112371D+01 -0.592360D-01
      2   0.521128D+01  0.809109D+00  0.932683D+01 -0.832956D+01  0.915361D+00
      3   0.333948D+01  0.154915D+01  0.441358D+01 -0.713480D+01  0.693966D+01
                31            32            33            34            35 
      1  -0.198157D+01  0.139098D+01 -0.143922D+01  0.163625D+01  0.590275D+01
      2  -0.132037D+02 -0.108172D+01  0.205877D+01 -0.909867D+00 -0.123446D+01
      3  -0.383703D+00 -0.475444D+01  0.220963D+01  0.953299D+01  0.195124D+01
                36            37            38            39            40 
      1   0.796719D+00 -0.327991D+01 -0.180355D+01  0.422862D+01  0.139236D+01
      2   0.316822D+01  0.100460D+01  0.401443D+01  0.469182D+01  0.417271D+01
      3  -0.318355D+01 -0.846979D+00 -0.323819D+01 -0.457863D+00  0.749542D+01
                41            42            43            44            45 
      1  -0.300460D+00 -0.102413D+02  0.179205D+01 -0.259401D+01 -0.452195D+01
      2  -0.747758D+01 -0.491274D+01  0.397300D+01 -0.209972D+01 -0.825566D+01
      3   0.118972D+02  0.301206D+01  0.473749D+01  0.603785D+01  0.240394D+01
                46            47            48            49            50 
      1   0.121533D+01  0.381588D+00 -0.116150D+01  0.445344D+00 -0.819763D+00
      2  -0.259089D+01 -0.110841D+01  0.425101D+01  0.875335D-01 -0.675150D+00
      3  -0.179894D+00 -0.155363D+01 -0.512065D+00  0.177571D+01  0.108898D+01
                51            52            53            54            55 
      1  -0.957000D+00 -0.270939D+01  0.152019D+01  0.559968D+01 -0.319355D+01
      2   0.875237D-01  0.475328D+01  0.365879D+01 -0.158183D+02  0.979985D+01
      3   0.907252D+00 -0.559134D+00  0.455229D+01 -0.483831D+00  0.574435D+01
                56            57            58            59            60 
      1  -0.984456D+00 -0.157005D+01  0.389638D+00  0.849150D+00 -0.103491D+01
      2   0.260580D+01  0.617604D+01  0.157148D+00  0.101494D+01  0.560973D+00
      3  -0.299882D+01  0.137292D+01  0.458386D+00 -0.132795D+01 -0.177585D+01
                61            62            63            64            65 
      1  -0.268296D+01 -0.606326D-01 -0.117309D+01  0.128290D+01  0.123896D+01
      2   0.654327D+01  0.318685D+01  0.396449D+01  0.560289D+00 -0.134775D+01
      3   0.354819D+01 -0.309623D+01  0.745143D+00  0.125228D+00 -0.233446D+01
                66            67            68            69            70 
      1   0.324186D+01 -0.527276D+00  0.355211D+01  0.352303D+01  0.197072D+01
      2  -0.268264D+01 -0.154680D+01 -0.150599D+00 -0.129670D+01 -0.319076D+01
      3  -0.151033D+01 -0.125362D+00  0.128170D+00 -0.706123D+00 -0.100187D+01
                71            72            73            74            75 
      1   0.521062D+01  0.951034D+01 -0.120538D+01 -0.209556D+01 -0.170165D+00
      2  -0.739626D+00 -0.413282D+01  0.844877D+00  0.121510D+01  0.140736D+01
      3  -0.691980D+00 -0.226487D+01  0.117829D+01 -0.616043D+00  0.903010D+00
                76            77            78            79            80 
      1  -0.169054D+01 -0.766458D+01 -0.156851D+01  0.772011D+00  0.119043D+01
      2   0.311358D+01  0.141284D+01 -0.919929D-01 -0.128594D+01 -0.247814D+00
      3   0.563112D+01  0.873059D+00 -0.239963D+00  0.417635D+00  0.384840D+00
                81            82            83            84            85 
      1  -0.680522D-01 -0.982246D-01 -0.140752D+01 -0.108116D-01 -0.260570D-01
      2  -0.716405D-01 -0.147406D+00  0.116141D+01  0.369874D+01  0.431059D-02
      3   0.135895D+00  0.307616D+00 -0.314158D+01 -0.193641D+01 -0.221671D+00
                86            87            88            89            90 
      1   0.103951D+01 -0.768956D+00  0.269381D+00  0.238263D+01 -0.474107D+00
      2  -0.159612D+00 -0.786445D+00 -0.271944D+01 -0.187108D+00 -0.591612D+01
      3   0.350033D+01  0.204050D+01 -0.241365D+01  0.331330D+01  0.236111D+01
                91            92            93            94            95 
      1   0.177960D+01 -0.618433D+01  0.186569D+01 -0.839896D+01 -0.437314D+01
      2  -0.235873D+01  0.111530D+02  0.782470D+01  0.131613D+02  0.490868D+01
      3  -0.936166D+01  0.418633D+01 -0.126117D+02  0.130850D+02  0.556347D+01
                96            97            98            99           100 
      1   0.908232D-01  0.314761D+01  0.474864D+01  0.167548D+01 -0.778027D+00
      2  -0.635648D+01  0.503431D-01 -0.710944D+01 -0.809334D+01  0.553616D+01
      3   0.125839D+01 -0.132814D+02 -0.755305D+00  0.488408D+01 -0.304929D+01
               101           102           103           104           105 
      1  -0.485972D+00  0.174781D+01  0.549004D+00  0.435097D+00 -0.212463D+01
      2  -0.297517D+01 -0.544416D+01 -0.288909D+01  0.352387D+01  0.481482D+01
      3   0.186631D+01  0.392236D+01  0.216801D+01 -0.436393D+01 -0.407266D+01
               106           107           108           109           110 
      1   0.630404D+00  0.118093D+01 -0.435592D+01 -0.361168D+01  0.290974D+01
      2  -0.559319D+01  0.531303D+01  0.130425D+02  0.202432D+01 -0.131523D+01
      3   0.392922D+01 -0.427432D+01 -0.616038D+01  0.954278D+01 -0.842028D+01
               111           112           113           114           115 
      1  -0.153945D+01  0.234680D+01 -0.226420D+01  0.256454D+00 -0.240188D+01
      2   0.508993D+01 -0.272779D+01  0.870618D+00 -0.301488D+01  0.175532D+01
      3   0.470332D+01 -0.622667D+01  0.713493D+01 -0.268922D+01  0.470670D+01
               116           117           118           119           120 
      1   0.204531D+01 -0.155833D+01  0.190158D+01  0.254363D+01 -0.203841D+01
      2  -0.649125D+00  0.484661D+01 -0.235040D+01 -0.353162D+01  0.305727D+01
      3  -0.297223D+01  0.266314D+01 -0.196240D+01 -0.576885D+01  0.209153D+01
               121           122           123           124           125 
      1   0.301943D+01  0.456038D+01 -0.503984D+01 -0.159251D+01 -0.205634D+01
      2  -0.350174D+01 -0.505123D+01  0.553437D+01  0.113552D+01  0.452536D+01
      3  -0.356525D+01 -0.131468D+02  0.311313D+01  0.191077D+01  0.568477D+01
               126           127           128           129           130 
      1   0.336967D+01 -0.249525D+01 -0.328386D+01 -0.157866D+00 -0.282477D+01
      2  -0.464993D+01  0.167379D+01  0.287073D+01  0.201578D+01  0.884792D+00
      3  -0.360141D+01  0.457558D+01  0.683395D+01  0.322517D+01  0.124842D+02
               131           132           133           134           135 
      1  -0.834861D+01  0.239370D+01  0.120841D+01  0.108483D+02  0.137914D+02
      2   0.276053D+01 -0.680452D+00 -0.426994D+01 -0.179693D+01 -0.391962D+01
      3  -0.546763D+01 -0.616002D+00  0.278684D+01 -0.150405D+01  0.905939D+00
               136           137           138           139           140 
      1   0.380598D+01  0.192794D+00  0.122181D+01 -0.811262D+00  0.419653D+01
      2   0.184381D+01 -0.234623D+01  0.226895D+01 -0.183971D+01  0.389333D+01
      3  -0.825804D+01 -0.667652D+01 -0.346084D+01 -0.230212D+00  0.897695D+01
               141           142           143           144           145 
      1  -0.521855D+01  0.530963D+00  0.126963D+01 -0.111390D+02  0.194050D+01
      2  -0.240007D+01 -0.277083D+01 -0.270426D+01 -0.517117D+01 -0.268124D+00
      3  -0.215579D+01 -0.314750D+01 -0.368875D+01  0.191499D+01  0.191024D+01
               146           147           148           149           150 
      1   0.179044D+01 -0.130713D+01  0.147482D+01  0.651468D+01 -0.613968D+01
      2  -0.115307D+01  0.107530D+01 -0.387087D-01 -0.228546D+01  0.155693D+01
      3   0.126167D+00 -0.128953D+01  0.526594D+01 -0.263963D+01  0.284456D+00
               151           152           153           154           155 
      1  -0.109013D+01 -0.434897D+01  0.201154D+01 -0.193641D+01  0.172160D+00
      2  -0.945793D+00  0.152466D+01 -0.385299D+00  0.549162D+00 -0.673614D-01
      3  -0.336026D+01  0.109216D+01 -0.238278D+00 -0.113490D+01 -0.142505D+01
               156           157           158           159           160 
      1   0.511001D+00  0.194602D+00 -0.184322D+01 -0.312047D+01 -0.555403D+00
      2   0.792418D+00 -0.453484D+00  0.601983D+00  0.980110D+00 -0.286498D+01
      3   0.177231D+01  0.218231D+00  0.311428D-02 -0.680424D+00  0.427357D+01
               161           162           163           164           165 
      1  -0.166808D+01 -0.166693D+02  0.126923D+01 -0.441876D-01 -0.898081D+00
      2   0.150500D+01  0.514298D+01  0.129847D+01  0.154105D+00  0.124157D+00
      3  -0.110163D+01 -0.591726D+00  0.115863D+01 -0.183356D+00 -0.126474D+01
               166           167           168           169           170 
      1   0.750487D+00  0.208605D+01  0.114998D+01  0.101842D+01  0.376627D+01
      2  -0.723074D+00 -0.110872D+00  0.129096D+01 -0.409940D+01 -0.293628D+00
      3   0.399267D+00 -0.165487D+01 -0.698666D+00 -0.323153D+01 -0.161739D+01
               171           172           173           174           175 
      1   0.119091D+02 -0.151209D+01  0.134555D+01  0.202000D+01  0.811605D+00
      2   0.722700D+01 -0.173336D+01  0.125942D+01  0.250130D+01  0.183344D+01
      3  -0.800452D+00 -0.567117D+01 -0.907575D+00  0.463831D+00  0.491780D+01
               176           177           178           179           180 
      1  -0.221631D+01 -0.274305D+01  0.147780D+01 -0.403124D+00  0.614856D+00
      2  -0.152926D+01 -0.150467D+01 -0.298123D+00 -0.521737D+00  0.124538D+00
      3   0.978169D+00  0.549450D+00  0.109204D+01  0.101595D+01 -0.684412D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.236979D+02 -0.140878D+02 -0.958666D+01 -0.784950D+00  0.165730D+01
      2   0.153530D+02  0.132851D+02  0.213798D+01  0.335964D+01  0.640606D+01
      3   0.834491D+01  0.802716D+00  0.744869D+01 -0.257469D+01 -0.806335D+01
      4  -0.143947D+02 -0.760014D+01 -0.577603D+01  0.402980D+01  0.666844D+01
      5  -0.115529D+02 -0.288106D+01 -0.124885D+02 -0.560528D+00 -0.300491D+01
      6  -0.336919D+01  0.583280D-01 -0.163162D+01 -0.289892D+00 -0.973842D+00
                 6             7             8             9            10 
      1  -0.165700D+01 -0.130523D+02 -0.458420D+01 -0.103551D+02  0.947015D+00
      2   0.679871D+00  0.222835D+01 -0.227165D+01  0.169496D+02 -0.884566D+01
      3   0.977125D+00  0.108240D+02  0.685584D+01 -0.659444D+01  0.789864D+01
      4  -0.485887D+01 -0.944715D+01 -0.381502D+01 -0.850817D+01  0.136571D+02
      5  -0.162486D+00 -0.167601D+02 -0.504957D+01  0.168305D+02  0.530404D+01
      6   0.118633D+01 -0.569694D+01 -0.842873D+00  0.105112D+02 -0.147204D+01
                11            12            13            14            15 
      1  -0.126739D+01 -0.463032D+01 -0.103754D+01 -0.132896D+01  0.204975D+01
      2   0.974993D+01  0.115256D+00  0.654821D+01 -0.136733D+02 -0.409386D+01
      3  -0.848254D+01  0.451506D+01 -0.551067D+01  0.150023D+02  0.204412D+01
      4  -0.162142D+02 -0.270134D+01 -0.260084D+02  0.206691D+02  0.981076D+01
      5  -0.179173D+01  0.414161D+00 -0.613581D+01  0.558229D+01  0.483333D+01
      6   0.597765D+01  0.973811D+00  0.247597D+01 -0.132570D+02 -0.993812D+01
                16            17            18            19            20 
      1   0.459036D+01  0.373213D+00  0.381375D+01 -0.485737D+01  0.503103D+01
      2   0.107379D+01 -0.940685D+01 -0.922661D+01  0.287603D+01 -0.428830D+01
      3  -0.566415D+01  0.903364D+01  0.541286D+01  0.198134D+01 -0.742726D+00
      4  -0.112711D+02  0.171979D+02  0.578418D+01 -0.679949D+01  0.549557D+01
      5   0.431931D+01  0.160521D+01  0.732542D+01 -0.616935D+01  0.215150D+01
      6   0.995847D+00 -0.317203D+01 -0.485202D+01 -0.247339D+01  0.205001D+01
                21            22            23            24            25 
      1   0.516844D+01  0.959799D+01  0.142007D+02  0.539925D+01  0.245729D+00
      2   0.537162D+01 -0.888080D+01 -0.192828D+02  0.995881D+01  0.292878D+01
      3  -0.105401D+02 -0.717194D+00  0.508203D+01 -0.153581D+02 -0.317450D+01
      4   0.977224D+00  0.628603D+01 -0.686701D+01  0.325418D+00  0.265667D+01
      5   0.261943D+01  0.386397D+01  0.231622D+01 -0.286223D+01  0.293200D+01
      6   0.124045D+01  0.303049D+01  0.131206D+02  0.257158D+00 -0.478679D+00
                26            27            28            29            30 
      1   0.504215D+01  0.123355D+02 -0.557636D+00 -0.558336D+01  0.566865D+01
      2   0.635216D+01  0.988663D+01  0.234191D+01 -0.402898D+00 -0.491988D+01
      3  -0.113943D+02 -0.222221D+02 -0.178428D+01  0.598626D+01 -0.748765D+00
      4  -0.997811D+00 -0.326642D+01 -0.404122D+00 -0.172587D+01 -0.969867D+01
      5  -0.240005D+01 -0.879351D+01  0.912022D+01 -0.108228D+02 -0.156856D+02
      6   0.243363D+01  0.135042D+01 -0.526443D+01 -0.337388D+01  0.158421D+01
                31            32            33            34            35 
      1  -0.813153D+01  0.298880D+01 -0.120237D+02  0.576425D+00 -0.112327D+02
      2   0.212474D+01 -0.701746D-01  0.527739D+01 -0.509932D+01  0.586355D+01
      3   0.600679D+01 -0.291862D+01  0.674632D+01  0.452289D+01  0.536919D+01
      4  -0.644872D+01  0.648245D+01 -0.103650D+01 -0.934181D+01 -0.512903D+01
      5  -0.163571D+02 -0.188933D+01  0.566678D+01 -0.141096D+02  0.489393D+01
      6  -0.134074D+01 -0.230582D+01 -0.463944D+01  0.161170D+01 -0.181693D+01
                36            37            38            39            40 
      1  -0.116957D+02  0.198907D+02 -0.670845D+01 -0.263683D+01 -0.488532D+01
      2   0.816287D+01  0.600021D-01 -0.784884D+01  0.146588D+01 -0.106360D+02
      3   0.353281D+01 -0.199507D+02  0.145573D+02  0.117095D+01  0.155214D+02
      4   0.405452D+01 -0.303298D+02  0.312244D+02  0.629069D+01  0.358920D+02
      5   0.203981D+02 -0.598987D+01  0.359503D+01  0.876957D+01  0.605382D+01
      6  -0.675323D+01  0.569095D+01 -0.389710D+01 -0.591708D+01 -0.539056D+01
                41            42            43            44            45 
      1  -0.125486D+02 -0.551186D+01 -0.878608D+00 -0.548101D+01 -0.664032D+01
      2   0.386753D+02  0.707439D+01 -0.371042D+00  0.887006D+01  0.316734D+01
      3  -0.261267D+02 -0.156252D+01  0.124965D+01 -0.338906D+01  0.347297D+01
      4  -0.477330D+02 -0.108075D+02  0.113102D+02 -0.141101D+02 -0.145162D+02
      5  -0.685945D+01 -0.995434D+01  0.110832D+02 -0.117309D+02 -0.121826D+02
      6   0.163856D+02  0.172863D+02 -0.764463D+01  0.190674D+02  0.133676D+02
                46            47            48            49            50 
      1   0.927546D+01  0.300434D+01 -0.484008D+01 -0.146690D+00 -0.186767D+01
      2  -0.875558D+01 -0.261113D+01  0.551836D+01  0.104854D+01  0.357105D-01
      3  -0.519880D+00 -0.393203D+00 -0.678281D+00 -0.901852D+00  0.183196D+01
      4   0.577826D+01  0.481157D+01 -0.303017D+01  0.382800D+01  0.147722D+01
      5  -0.825024D+01 -0.170170D+01  0.112992D+02  0.418858D+00 -0.394468D+01
      6  -0.324852D+01 -0.142591D+01  0.250164D+01 -0.235593D+01 -0.216608D+01
                51            52            53            54            55 
      1   0.172347D+01 -0.645404D+01  0.268740D+01 -0.285007D+00  0.500024D+02
      2  -0.225833D+01  0.106535D+02 -0.145053D+00 -0.190965D+02 -0.278453D+02
      3   0.534855D+00 -0.419951D+01 -0.254235D+01  0.193815D+02 -0.221571D+02
      4  -0.437549D+01 -0.407244D+01 -0.630442D+01  0.766148D+01  0.221326D+02
      5   0.640071D+00  0.170427D+02  0.493978D+01 -0.292346D+02  0.160286D+02
      6   0.624200D+01  0.543520D+01  0.585698D+01 -0.128286D+02  0.349485D+01
                56            57            58            59            60 
      1   0.104671D+02  0.122281D+02  0.707619D+00  0.365383D+01  0.117738D+01
      2  -0.505190D+01 -0.731691D+01  0.164989D+01  0.193389D+00  0.358615D+00
      3  -0.541515D+01 -0.491114D+01 -0.235751D+01 -0.384722D+01 -0.153600D+01
      4   0.136590D+02  0.517609D+01  0.102243D+02  0.588968D+01  0.394585D+01
      5   0.307825D+01  0.115235D+02  0.151036D+01  0.421715D+01  0.142919D+01
      6   0.128460D+01  0.309764D+01  0.140939D+01  0.972359D+00  0.246378D+01
                61            62            63            64            65 
      1   0.187660D+02  0.363305D+01  0.951714D+01  0.121831D+01 -0.817085D+00
      2  -0.120699D+02 -0.352592D+00 -0.876889D+01 -0.546108D+01  0.450161D+00
      3  -0.669606D+01 -0.328046D+01 -0.748253D+00  0.424277D+01  0.366923D+00
      4   0.903420D+01  0.706062D+01  0.710386D+01  0.280043D+00  0.106346D+01
      5   0.157332D+02  0.561161D+01  0.968925D+01  0.484765D+01  0.714147D+00
      6   0.463280D+01  0.323475D+01  0.186100D+01  0.214082D+00  0.110082D+01
                66            67            68            69            70 
      1  -0.490107D+01 -0.868131D+00 -0.437042D+01 -0.497288D+01 -0.207397D+01
      2  -0.479205D+01  0.947319D+00 -0.105318D+01 -0.595333D+01 -0.239765D+01
      3   0.969312D+01 -0.791879D-01  0.542361D+01  0.109262D+02  0.447162D+01
      4  -0.648101D+00 -0.102132D+01  0.159080D+01  0.120349D+01 -0.190750D+01
      5   0.852248D+01  0.121930D+01  0.116312D+01  0.180188D+01  0.588475D+01
      6  -0.257434D+01  0.708375D+00  0.756095D+00  0.380449D+01 -0.680146D+00
                71            72            73            74            75 
      1  -0.172055D+01 -0.244345D+02  0.293584D+00 -0.111483D+01  0.498933D+00
      2  -0.372273D+01 -0.200281D+02  0.270683D+01  0.212441D+01 -0.320499D+00
      3   0.544327D+01  0.444626D+02 -0.300041D+01 -0.100958D+01 -0.178434D+00
      4   0.786703D+00  0.113867D+01  0.442561D+01  0.818875D+01 -0.206343D+01
      5   0.827002D+00  0.758268D+01 -0.232310D+01 -0.352129D+01  0.325450D+01
      6   0.460372D+01 -0.690899D+01 -0.261952D+01 -0.312217D+01  0.211664D+01
                76            77            78            79            80 
      1  -0.226886D+01 -0.216259D+02  0.790958D+01 -0.578669D+00  0.293168D+01
      2   0.450177D+01  0.316819D+02 -0.677114D+01  0.267688D+00 -0.726142D+00
      3  -0.223292D+01 -0.100560D+02 -0.113843D+01  0.310982D+00 -0.220554D+01
      4   0.750492D+01  0.825322D+01 -0.210551D+01 -0.973138D+00 -0.990301D+00
      5  -0.226695D+01 -0.272200D+01  0.173712D+01  0.172592D+01  0.220707D+01
      6  -0.345266D+01 -0.204600D+02  0.114146D+02  0.168487D+01  0.850403D+01
                81            82            83            84            85 
      1  -0.592146D+01  0.151854D+02 -0.111791D+01 -0.840183D+01 -0.199547D+01
      2   0.183478D+01 -0.130920D+02  0.175534D+01  0.991391D+01  0.259976D+01
      3   0.408668D+01 -0.209339D+01 -0.637425D+00 -0.151208D+01 -0.604293D+00
      4   0.189387D+01 -0.405059D+01  0.630756D+01  0.542108D+01  0.645609D+01
      5  -0.716664D+00 -0.175352D+02  0.563088D+01  0.188887D+02  0.612047D+01
      6  -0.553370D+01  0.402167D+01 -0.142228D+01 -0.261768D+01 -0.335095D+01
                86            87            88            89            90 
      1  -0.439101D+00  0.143448D+01 -0.779377D+01  0.642496D+00  0.199719D+01
      2  -0.321972D+00 -0.257624D+01  0.113094D+02 -0.231005D+01 -0.164769D+02
      3   0.761072D+00  0.114176D+01 -0.351559D+01  0.166755D+01  0.144797D+02
      4  -0.511253D+01 -0.568533D+01  0.419702D+01 -0.478287D+01 -0.714551D+01
      5  -0.656850D+01 -0.721982D+01  0.193576D+02 -0.624241D+01 -0.287359D+02
      6   0.373446D+01  0.766050D+01 -0.429382D+01  0.525308D+01  0.656758D+01
                91            92            93            94            95 
      1  -0.172894D+02  0.897167D+01 -0.169576D+02  0.162063D+02 -0.993817D+01
      2   0.115048D+02 -0.121408D+02  0.101934D+02 -0.180208D+02 -0.987412D+00
      3   0.578465D+01  0.316918D+01  0.676418D+01  0.181452D+01  0.109256D+02
      4   0.774570D+01 -0.978210D+01  0.164961D+02 -0.123717D+02 -0.162807D+02
      5  -0.951811D+01  0.201889D+02  0.265236D+01  0.256453D+02  0.730890D+01
      6   0.518883D+01  0.716109D+01  0.744101D+01  0.738491D+01  0.576083D+01
                96            97            98            99           100 
      1   0.240219D+02 -0.131220D+02  0.223436D+02  0.103355D+02 -0.558169D+01
      2  -0.765147D+01  0.115186D+02 -0.549924D+01 -0.437626D+01  0.155826D+01
      3  -0.163704D+02  0.160337D+01 -0.168444D+02 -0.595921D+01  0.402343D+01
      4   0.111421D+02  0.208420D+02  0.136798D+02 -0.294501D+01 -0.354728D+01
      5  -0.191953D+01  0.305776D-01 -0.334764D+01 -0.713835D+01  0.162680D+00
      6  -0.419999D+01  0.683211D+01 -0.487993D+01 -0.460052D+01  0.238066D+01
               101           102           103           104           105 
      1   0.334960D+01  0.999003D+01  0.274709D+01 -0.637618D+01 -0.935652D+01
      2  -0.199661D+01 -0.226292D+01 -0.486895D+00  0.568489D+01  0.404963D+01
      3  -0.135299D+01 -0.772710D+01 -0.226020D+01  0.691288D+00  0.530690D+01
      4  -0.761142D+00 -0.165954D+01  0.365932D+01  0.630139D+01  0.263780D+01
      5  -0.316001D+01 -0.338372D+01 -0.181802D+01  0.325375D+01  0.523613D+01
      6  -0.448691D+01 -0.577636D+01 -0.213897D+01  0.678469D+01  0.937332D+01
               106           107           108           109           110 
      1   0.106603D+02 -0.936589D+01 -0.170128D+02  0.506321D+02 -0.120358D+02
      2  -0.434773D+01  0.358149D+01 -0.130559D+01 -0.305448D+02  0.883012D+01
      3  -0.631259D+01  0.578440D+01  0.183184D+02 -0.200874D+02  0.320566D+01
      4   0.105460D+01  0.419295D+01  0.425863D+01 -0.653682D+01  0.112734D+02
      5   0.264163D+01  0.599900D+01  0.152633D+02  0.212064D+02 -0.665626D+01
      6  -0.255192D+01  0.978168D+01  0.151740D+02 -0.101705D+01  0.168197D+01
               111           112           113           114           115 
      1   0.144734D+02 -0.235616D+02  0.102074D+02 -0.811140D+01  0.148003D+02
      2  -0.116225D+02  0.153214D+02 -0.532730D+01  0.609460D+01 -0.122365D+02
      3  -0.285091D+01  0.824023D+01 -0.488015D+01  0.201680D+01 -0.256385D+01
      4  -0.341211D+01  0.110060D+02 -0.998361D+01  0.313583D+01 -0.371902D+01
      5   0.140275D+02 -0.122430D+02  0.512550D+01 -0.808072D+01  0.159537D+02
      6  -0.515259D+00  0.207130D+01 -0.360772D+01  0.234002D+01 -0.891831D+00
               116           117           118           119           120 
      1  -0.520044D+01  0.805317D+01  0.176163D+02  0.933512D+01 -0.280128D+01
      2   0.398182D+01 -0.895230D+01 -0.483771D+01  0.139185D+01 -0.306265D+00
      3   0.121862D+01  0.899129D+00 -0.127786D+02 -0.107270D+02  0.310754D+01
      4   0.234068D+01 -0.227518D+01  0.168610D+02  0.184795D+02 -0.687490D+01
      5  -0.441382D+01  0.129195D+02 -0.373436D+01 -0.582583D+01  0.589709D+01
      6   0.299797D+01  0.370612D+00 -0.247248D+01 -0.155766D+01  0.167691D+01
               121           122           123           124           125 
      1   0.108748D+02  0.525724D+01 -0.345353D+01 -0.824345D+01 -0.460353D+01
      2   0.314671D+01  0.146503D+02 -0.310789D+01  0.147683D+01 -0.349467D+01
      3  -0.140215D+02 -0.199075D+02  0.656142D+01  0.676662D+01  0.809820D+01
      4   0.240729D+02  0.346469D+02 -0.932184D+01 -0.122172D+02 -0.148128D+02
      5  -0.584502D+01 -0.802084D+01  0.831569D+01  0.717738D+01  0.902887D+01
      6  -0.242219D+01 -0.420156D+01  0.665129D+01  0.300862D+01  0.694021D+01
               126           127           128           129           130 
      1   0.729262D+00 -0.172296D+01  0.866765D+01 -0.149897D+00  0.121073D+02
      2   0.128690D+01  0.486597D+01 -0.139165D+02  0.305218D+01 -0.170385D+02
      3  -0.201616D+01 -0.314300D+01  0.524884D+01 -0.290229D+01  0.493114D+01
      4   0.907761D+01  0.241946D+01  0.438617D-01  0.514597D+01  0.195338D+01
      5  -0.930856D+01  0.212583D+01  0.171678D+01 -0.471562D+00 -0.636182D+00
      6  -0.573464D+01  0.604629D+01  0.352289D+01 -0.341300D-01  0.455643D+01
               131           132           133           134           135 
      1   0.166235D+02 -0.481007D+01 -0.170090D+00 -0.409144D+01  0.150670D+02
      2  -0.305639D+02  0.116036D+02  0.327004D+01  0.165086D+02 -0.994543D+01
      3   0.139404D+02 -0.679357D+01 -0.309995D+01 -0.124172D+02 -0.512155D+01
      4  -0.171851D+02  0.565291D+01  0.459405D+01  0.662179D+01 -0.282363D+01
      5   0.403810D+01 -0.787594D+00  0.812506D+00 -0.306623D+01 -0.619364D+01
      6   0.143236D+02 -0.768985D+01 -0.118213D+01 -0.133788D+02 -0.262675D+02
               136           137           138           139           140 
      1   0.305291D+01  0.294615D+00  0.127034D+01 -0.364147D+01 -0.781241D+01
      2  -0.124877D+02  0.112676D+02 -0.273237D+01  0.144281D+02 -0.160510D+01
      3   0.943477D+01 -0.115622D+02  0.146203D+01 -0.107866D+02  0.941752D+01
      4   0.126451D+02 -0.206899D+02 -0.553749D+00 -0.188250D+02  0.140933D+02
      5   0.153623D+01  0.272691D+01  0.209907D+01  0.359223D+01 -0.769219D+00
      6  -0.281630D+01 -0.235810D+01 -0.161914D+01 -0.263604D+01 -0.358528D+01
               141           142           143           144           145 
      1   0.519353D+01  0.117680D+01  0.375783D+01  0.785246D+01 -0.119072D+01
      2  -0.113255D+01  0.206639D-01 -0.482733D+01  0.108743D+02  0.719117D+01
      3  -0.406098D+01 -0.119746D+01  0.106949D+01 -0.187267D+02 -0.600046D+01
      4  -0.127198D+01 -0.109775D+00  0.322222D+01  0.419703D+00  0.846552D+01
      5  -0.256528D+01  0.266678D+01 -0.107336D+01 -0.937145D+01 -0.164190D+01
      6   0.522350D+01  0.410069D+00  0.389743D+01  0.163591D+02 -0.411965D+01
               146           147           148           149           150 
      1  -0.351706D+01  0.917786D-01 -0.506699D+01 -0.336521D+02  0.599868D+01
      2   0.105771D+02 -0.143249D+01  0.124402D+02  0.625895D+02 -0.108634D+02
      3  -0.706007D+01  0.134071D+01 -0.737326D+01 -0.289374D+02  0.486474D+01
      4   0.141600D+02 -0.358674D+01  0.122507D+02  0.239636D+02 -0.419484D+01
      5  -0.195071D+01  0.249601D+01 -0.165650D+01 -0.285931D+01  0.265666D+01
      6  -0.268130D+01  0.203586D+01 -0.288948D+01 -0.144720D+02  0.104745D+02
               151           152           153           154           155 
      1   0.120983D+01  0.108441D+02 -0.753428D+01  0.339205D+00 -0.116239D-01
      2  -0.326592D+01 -0.179082D+02  0.858023D+01 -0.237907D+01  0.783208D+00
      3   0.205609D+01  0.706408D+01 -0.104596D+01  0.203986D+01 -0.771585D+00
      4  -0.516007D+01 -0.734350D+01  0.433935D+01 -0.498742D+00  0.315481D+01
      5   0.255922D+01  0.373425D+01 -0.167460D+01  0.105727D+01  0.165553D+01
      6   0.320525D+01  0.143979D+02 -0.592171D+01  0.381697D+01 -0.832346D+00
               156           157           158           159           160 
      1   0.147200D+01 -0.143107D+01 -0.762790D+01 -0.550321D+01  0.124198D+01
      2  -0.141329D+01  0.218083D+01  0.902223D+01  0.427863D+01 -0.107851D+01
      3  -0.587103D-01 -0.749758D+00 -0.139433D+01  0.122457D+01 -0.163470D+00
      4   0.384483D+01  0.209002D+01  0.301949D+01  0.114073D+01  0.530654D+01
      5   0.587357D+01  0.863738D+00  0.118463D+01  0.117103D+01  0.417517D+01
      6  -0.700563D+00  0.149565D+00  0.688486D+01  0.101846D+02  0.214341D+01
               161           162           163           164           165 
      1  -0.992814D+01 -0.194371D+02 -0.163840D+01 -0.443391D+00  0.160093D+01
      2   0.704236D+01  0.865433D+00 -0.450521D+00 -0.102651D+01  0.158523D+00
      3   0.288578D+01  0.185717D+02  0.208892D+01  0.146990D+01 -0.175945D+01
      4   0.233604D+01  0.356512D+01 -0.270100D+00  0.384637D+01 -0.134658D+01
      5   0.329124D+01  0.872910D+01  0.839898D+00 -0.198949D+00  0.497304D+01
      6   0.168470D+02  0.340918D+02 -0.120937D+01  0.440515D+00  0.191679D+01
               166           167           168           169           170 
      1   0.109812D+01 -0.615529D+00 -0.328282D+00  0.197636D+01  0.383470D+01
      2  -0.272808D+01 -0.110258D+01 -0.373117D+01 -0.272371D+01 -0.387780D+01
      3   0.162996D+01  0.171811D+01  0.405945D+01  0.747342D+00  0.430919D-01
      4   0.303921D+01 -0.125047D+01  0.136715D+01 -0.282947D+01  0.257884D+01
      5   0.244368D+00  0.113452D+01  0.271463D+01  0.504750D+01 -0.720488D+00
      6   0.284615D+00 -0.115351D+01  0.274346D+01 -0.180232D+01  0.511514D+01
               171           172           173           174           175 
      1  -0.148977D+02  0.105895D+02 -0.192409D+01 -0.280872D+00  0.234232D+00
      2  -0.150289D+02  0.498798D+01 -0.111775D+02  0.553950D+00 -0.120137D+02
      3   0.299266D+02 -0.155775D+02  0.131015D+02 -0.273077D+00  0.117795D+02
      4  -0.276190D+01 -0.272096D+02  0.255974D+02 -0.130417D+01  0.242625D+02
      5   0.119625D+02  0.244330D+01 -0.225109D+01  0.417365D+01 -0.201332D+01
      6  -0.185869D+02 -0.772352D+00  0.187976D+01 -0.319879D+01  0.215342D+01
               176           177           178           179           180 
      1  -0.674074D+01  0.356109D+00 -0.151528D+01 -0.346647D+00 -0.178983D+01
      2   0.257582D+02 -0.307504D+00  0.204621D+00  0.187782D+01  0.129462D+01
      3  -0.190175D+02 -0.486052D-01  0.131066D+01 -0.153118D+01  0.495212D+00
      4  -0.282739D+02  0.125291D+01  0.205342D+01 -0.173175D+01 -0.505495D+01
      5   0.131407D+01 -0.265050D+01  0.360657D+01 -0.372431D+01  0.606469D+00
      6  -0.184365D+01  0.461592D+01 -0.436823D+01  0.569191D+01 -0.969020D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:26:28 2021, MaxMem=  5637144576 cpu:            7160.0 elap:             899.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.13085 -10.27441 -10.20379 -10.19538 -10.19463
 Alpha  occ. eigenvalues --  -10.19247 -10.19102 -10.18177  -1.03509  -0.84150
 Alpha  occ. eigenvalues --   -0.77249  -0.73004  -0.68800  -0.61925  -0.58398
 Alpha  occ. eigenvalues --   -0.51977  -0.50090  -0.47323  -0.46508  -0.44095
 Alpha  occ. eigenvalues --   -0.42333  -0.41700  -0.41065  -0.39822  -0.37490
 Alpha  occ. eigenvalues --   -0.36909  -0.35898  -0.33465  -0.33137  -0.32597
 Alpha  occ. eigenvalues --   -0.24866
 Alpha virt. eigenvalues --   -0.02886   0.01200   0.03072   0.03747   0.04223
 Alpha virt. eigenvalues --    0.06499   0.06811   0.07131   0.08103   0.08873
 Alpha virt. eigenvalues --    0.10293   0.10572   0.11069   0.12145   0.12707
 Alpha virt. eigenvalues --    0.13417   0.13934   0.15096   0.16446   0.16740
 Alpha virt. eigenvalues --    0.17346   0.17725   0.18714   0.19322   0.19521
 Alpha virt. eigenvalues --    0.20548   0.22172   0.22989   0.24801   0.24980
 Alpha virt. eigenvalues --    0.25609   0.27273   0.27708   0.28376   0.29266
 Alpha virt. eigenvalues --    0.29655   0.29820   0.30264   0.31401   0.31561
 Alpha virt. eigenvalues --    0.32529   0.32978   0.33300   0.33911   0.33941
 Alpha virt. eigenvalues --    0.34524   0.35472   0.35594   0.36045   0.37039
 Alpha virt. eigenvalues --    0.37705   0.37801   0.38447   0.39341   0.39770
 Alpha virt. eigenvalues --    0.40483   0.41205   0.42405   0.43209   0.43594
 Alpha virt. eigenvalues --    0.43945   0.44027   0.45602   0.45730   0.46602
 Alpha virt. eigenvalues --    0.47160   0.47709   0.48201   0.48907   0.49967
 Alpha virt. eigenvalues --    0.50201   0.50317   0.50959   0.51781   0.52573
 Alpha virt. eigenvalues --    0.53127   0.53268   0.53791   0.54320   0.55254
 Alpha virt. eigenvalues --    0.55444   0.57297   0.58017   0.58446   0.58729
 Alpha virt. eigenvalues --    0.59103   0.60152   0.61198   0.62490   0.62836
 Alpha virt. eigenvalues --    0.64016   0.64562   0.65364   0.65895   0.67045
 Alpha virt. eigenvalues --    0.67726   0.68861   0.70495   0.71391   0.72198
 Alpha virt. eigenvalues --    0.74041   0.75332   0.76783   0.78867   0.80486
 Alpha virt. eigenvalues --    0.82739   0.83342   0.85163   0.88824   0.90530
 Alpha virt. eigenvalues --    0.91633   0.94745   0.96545   0.96949   0.98127
 Alpha virt. eigenvalues --    0.99003   0.99868   1.01440   1.01997   1.02190
 Alpha virt. eigenvalues --    1.03451   1.04088   1.04581   1.05480   1.07274
 Alpha virt. eigenvalues --    1.07898   1.10436   1.10629   1.11904   1.13904
 Alpha virt. eigenvalues --    1.15653   1.15984   1.19522   1.21916   1.24900
 Alpha virt. eigenvalues --    1.26196   1.28497   1.31610   1.34126   1.35206
 Alpha virt. eigenvalues --    1.37445   1.38733   1.42459   1.46206   1.49662
 Alpha virt. eigenvalues --    1.52394   1.53157   1.57160   1.62103   1.62909
 Alpha virt. eigenvalues --    1.65384   1.66191   1.68118   1.69090   1.70734
 Alpha virt. eigenvalues --    1.71430   1.73703   1.76504   1.78236   1.79066
 Alpha virt. eigenvalues --    1.80390   1.81489   1.82663   1.85021   1.87165
 Alpha virt. eigenvalues --    1.90175   1.92781   1.94683   1.95030   1.96134
 Alpha virt. eigenvalues --    1.98143   1.98553   2.00309   2.00928   2.03679
 Alpha virt. eigenvalues --    2.05715   2.06322   2.09926   2.11360   2.11977
 Alpha virt. eigenvalues --    2.13360   2.14739   2.15917   2.18249   2.21010
 Alpha virt. eigenvalues --    2.23552   2.24839   2.29513   2.30526   2.34035
 Alpha virt. eigenvalues --    2.35847   2.40943   2.42472   2.44733   2.45720
 Alpha virt. eigenvalues --    2.47438   2.48497   2.52120   2.55341   2.55944
 Alpha virt. eigenvalues --    2.60408   2.62134   2.63279   2.64587   2.66622
 Alpha virt. eigenvalues --    2.69416   2.72116   2.73445   2.77076   2.79627
 Alpha virt. eigenvalues --    2.87071   2.89884   2.93604   2.95776   3.02111
 Alpha virt. eigenvalues --    3.04917   3.06752   3.08613   3.11783   3.13902
 Alpha virt. eigenvalues --    3.14793   3.16850   3.18834   3.22061   3.24163
 Alpha virt. eigenvalues --    3.27235   3.45852   3.84423
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.881807   0.123818  -0.198484  -0.132452   0.025867   0.209435
     2  C    0.123818   5.342243   0.282544   0.058528   0.201341   0.105235
     3  C   -0.198484   0.282544   4.791909   0.299971  -0.022568   0.019569
     4  C   -0.132452   0.058528   0.299971   5.861330   0.022401  -0.001006
     5  O    0.025867   0.201341  -0.022568   0.022401   8.206499  -0.010828
     6  H    0.209435   0.105235   0.019569  -0.001006  -0.010828   0.758665
     7  H    0.251804   0.126226  -0.010287  -0.001067  -0.002416  -0.097018
     8  H   -0.046274   0.032549   0.303838   0.000687  -0.013984  -0.004627
     9  H    0.018893   0.150929  -0.006045   0.020282  -0.048019   0.002088
    10  H    0.027276  -0.023407  -0.051705  -0.074992   0.004891  -0.001566
    11  C    0.006375  -0.029169   0.024986   0.404970  -0.004663   0.002982
    12  H   -0.001787   0.020136  -0.017098   0.138821  -0.000349  -0.000450
    13  H    0.002734  -0.007788   0.010750   0.107128   0.000178   0.000441
    14  H   -0.001758  -0.004786  -0.019067   0.073192  -0.004165  -0.000113
    15  C    0.238502   0.035955  -0.081337   0.046840  -0.010947   0.008366
    16  C    0.128617  -0.118497  -0.034087   0.144172   0.001435   0.008427
    17  H    0.042549  -0.003298   0.020361   0.030474   0.000450  -0.058977
    18  H   -0.012704  -0.024416   0.021838   0.000741   0.002481   0.026156
    19  H   -0.018307  -0.018052  -0.035021  -0.069602   0.002955  -0.031832
    20  H    0.017167   0.020751   0.056426   0.187445  -0.002496   0.006645
               7          8          9         10         11         12
     1  C    0.251804  -0.046274   0.018893   0.027276   0.006375  -0.001787
     2  C    0.126226   0.032549   0.150929  -0.023407  -0.029169   0.020136
     3  C   -0.010287   0.303838  -0.006045  -0.051705   0.024986  -0.017098
     4  C   -0.001067   0.000687   0.020282  -0.074992   0.404970   0.138821
     5  O   -0.002416  -0.013984  -0.048019   0.004891  -0.004663  -0.000349
     6  H   -0.097018  -0.004627   0.002088  -0.001566   0.002982  -0.000450
     7  H    0.899123   0.007016  -0.003001   0.000824  -0.000638  -0.000009
     8  H    0.007016   0.937104  -0.227821  -0.144381   0.017437  -0.006549
     9  H   -0.003001  -0.227821   1.338751   0.146279  -0.069739  -0.017231
    10  H    0.000824  -0.144381   0.146279   1.682191  -0.114776  -0.008465
    11  C   -0.000638   0.017437  -0.069739  -0.114776   4.064457   0.199298
    12  H   -0.000009  -0.006549  -0.017231  -0.008465   0.199298   0.840054
    13  H    0.000042  -0.004451   0.008937   0.022919   0.255199  -0.067885
    14  H    0.000064   0.016931  -0.001620  -0.012991   0.156852  -0.031418
    15  C    0.011389   0.016426   0.022792   0.005157   0.011576   0.009045
    16  C    0.008648  -0.029340   0.031416   0.097376   0.014658  -0.043713
    17  H    0.031526   0.000247  -0.002352   0.002672  -0.002818  -0.000371
    18  H   -0.066653  -0.019810  -0.001644  -0.006271  -0.000589   0.001064
    19  H    0.004767   0.006902  -0.003991   0.070080  -0.068799   0.019998
    20  H   -0.004383   0.007847  -0.005001  -0.227206   0.004076  -0.008783
              13         14         15         16         17         18
     1  C    0.002734  -0.001758   0.238502   0.128617   0.042549  -0.012704
     2  C   -0.007788  -0.004786   0.035955  -0.118497  -0.003298  -0.024416
     3  C    0.010750  -0.019067  -0.081337  -0.034087   0.020361   0.021838
     4  C    0.107128   0.073192   0.046840   0.144172   0.030474   0.000741
     5  O    0.000178  -0.004165  -0.010947   0.001435   0.000450   0.002481
     6  H    0.000441  -0.000113   0.008366   0.008427  -0.058977   0.026156
     7  H    0.000042   0.000064   0.011389   0.008648   0.031526  -0.066653
     8  H   -0.004451   0.016931   0.016426  -0.029340   0.000247  -0.019810
     9  H    0.008937  -0.001620   0.022792   0.031416  -0.002352  -0.001644
    10  H    0.022919  -0.012991   0.005157   0.097376   0.002672  -0.006271
    11  C    0.255199   0.156852   0.011576   0.014658  -0.002818  -0.000589
    12  H   -0.067885  -0.031418   0.009045  -0.043713  -0.000371   0.001064
    13  H    0.966203  -0.104544  -0.006087  -0.012584  -0.000674  -0.000489
    14  H   -0.104544   0.994595  -0.000414   0.042467  -0.000067  -0.000709
    15  C   -0.006087  -0.000414   4.443300   0.291602   0.143612   0.288099
    16  C   -0.012584   0.042467   0.291602   4.614757   0.082627   0.032807
    17  H   -0.000674  -0.000067   0.143612   0.082627   1.217665  -0.143389
    18  H   -0.000489  -0.000709   0.288099   0.032807  -0.143389   0.888194
    19  H   -0.065229   0.009171   0.037483   0.110435   0.057567  -0.031672
    20  H    0.008332   0.006959  -0.117348   0.202515  -0.057835   0.016931
              19         20
     1  C   -0.018307   0.017167
     2  C   -0.018052   0.020751
     3  C   -0.035021   0.056426
     4  C   -0.069602   0.187445
     5  O    0.002955  -0.002496
     6  H   -0.031832   0.006645
     7  H    0.004767  -0.004383
     8  H    0.006902   0.007847
     9  H   -0.003991  -0.005001
    10  H    0.070080  -0.227206
    11  C   -0.068799   0.004076
    12  H    0.019998  -0.008783
    13  H   -0.065229   0.008332
    14  H    0.009171   0.006959
    15  C    0.037483  -0.117348
    16  C    0.110435   0.202515
    17  H    0.057567  -0.057835
    18  H   -0.031672   0.016931
    19  H    1.214276  -0.315440
    20  H   -0.315440   1.550892
 Mulliken charges:
               1
     1  C    0.436921
     2  C   -0.270843
     3  C    0.643509
     4  C   -1.117863
     5  O   -0.348062
     6  H    0.058408
     7  H   -0.155958
     8  H    0.150254
     9  H   -0.353902
    10  H   -0.393905
    11  C    1.128327
    12  H   -0.024309
    13  H   -0.113130
    14  H   -0.118580
    15  C    0.605989
    16  C    0.426262
    17  H   -0.359968
    18  H    0.030036
    19  H    0.124312
    20  H   -0.347497
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.339371
     2  C   -0.270843
     3  C    0.439860
     4  C   -1.511768
     5  O   -0.348062
    11  C    0.872309
    15  C    0.276056
    16  C    0.203077
 Electronic spatial extent (au):  <R**2>=            982.6131
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.6881    Y=              2.7315    Z=              1.2286  Tot=              3.4380
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -53.1670   YY=            -55.3472   ZZ=            -49.7601
   XY=              5.5268   XZ=              1.5710   YZ=             -2.1827
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.4089   YY=             -2.5891   ZZ=              2.9980
   XY=              5.5268   XZ=              1.5710   YZ=             -2.1827
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -0.1853  YYY=              6.3619  ZZZ=              0.1868  XYY=             -8.7346
  XXY=              9.4944  XXZ=              4.4014  XZZ=              2.3235  YZZ=             -0.5269
  YYZ=              2.9468  XYZ=             -3.0984
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -679.5583 YYYY=           -509.1740 ZZZZ=           -168.9080 XXXY=              7.4293
 XXXZ=              5.2963 YYYX=             11.8899 YYYZ=             -7.5429 ZZZX=             -3.5348
 ZZZY=              2.4006 XXYY=           -208.7628 XXZZ=           -141.4588 YYZZ=           -112.1639
 XXYZ=             -6.7579 YYXZ=              1.5017 ZZXY=             -0.2603
 N-N= 3.912591214095D+02 E-N=-1.591422181887D+03  KE= 3.450374495157D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:26:29 2021, MaxMem=  5637144576 cpu:               2.3 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-6.35028629D-01 1.03621147D+00 4.65101343D-01
 Polarizability= 8.71451293D+01 7.37019006D-01 8.56738357D+01
                -1.69420051D+00 4.74103926D-01 7.18484302D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.0217    1.0215        0.1842    0.1846
 2     -1.0217   -1.0215       -0.3473   -0.3483       -0.6735   -0.6738
 3     -0.1842   -0.1846        8.2129    8.2128        0.3476    0.3483
 4      0.3473    0.3483        0.0000    0.0000       -0.1847   -0.1846
 5     -7.5394   -7.5390        0.1847    0.1846        1.0219    1.0215
 6     -0.3476   -0.3483       -1.0219   -1.0215       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.0644   -3.0644        0.5538    0.5538
 2      1.0448    1.0448        0.0000    0.0000        0.5538    0.5538
 3      1.0448    1.0448       -3.0644   -3.0644       -0.0000    0.0000
 4     -3.0644   -3.0644       -1.0448   -1.0448       -2.0215   -2.0215
 5     -0.5538   -0.5538       24.6385   24.6385        1.0448    1.0448
 6    -22.6170  -22.6170        0.5538    0.5538        3.0644    3.0644
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0334    0.0000       -4.1288   -4.0859       -0.7630   -0.7385
 2      4.1645    4.0859        1.3326    1.3930        2.6311    2.6953
 3      0.6998    0.7385      -32.8882  -32.8513       -1.3449   -1.3930
 4     -1.3242   -1.3930       -0.0482    0.0000        0.7177    0.7385
 5     30.1532   30.1560       -0.7291   -0.7385       -4.0828   -4.0859
 6      1.4086    1.3930        4.0694    4.0859       -0.0073    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0295    0.0000        7.6342    7.7107       11.7614   11.7559
 2     -7.7257   -7.7107       -5.3462   -5.3457      -18.2284  -18.2175
 3    -11.6891  -11.7559       10.6996   10.7655        5.2537    5.3457
 4      5.2701    5.3457       -0.0090    0.0000      -11.8152  -11.7559
 5      7.4620    7.4520       11.6661   11.7559        7.6535    7.7107
 6     -5.2619   -5.3457       -7.6871   -7.7107        0.0007    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      8.5367    8.4882        9.7092    9.6515      -13.6282  -13.5545
 2     19.7064   19.7126       13.6064   13.5433      -13.6103  -13.5545
 3     19.7519   19.7126        9.6963    9.6515      -23.2368  -23.1714
 4     -3.8664   -3.8919      -11.1809  -11.2244      -16.2376  -16.2040
 5     -9.5295   -9.6169        8.9401    8.9831       11.1555   11.2244
 6      7.2887    7.2209        9.5155    9.6169        3.7956    3.8919
 Full mass-weighted force constant matrix:
 Low frequencies ---   -8.5210   -6.3633   -0.0007   -0.0006   -0.0003    6.6701
 Low frequencies ---   59.2935   73.3413  253.6374
 Diagonal vibrational polarizability:
       13.0453635       4.3436223      16.4340118
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     59.2811                73.3276               253.6373
 Red. masses --      2.3724                 4.1820                 1.1158
 Frc consts  --      0.0049                 0.0132                 0.0423
 IR Inten    --      1.0780                 3.5435                 0.1521
 RamAct Fr= 1--      0.3737                 1.0905                 0.0844
  Dep-P Fr= 1--      0.7022                 0.6946                 0.4379
  Dep-U Fr= 1--      0.8251                 0.8198                 0.6090
 Alpha2 Fr= 1--      0.0003                 0.0011                 0.0005
 Beta2  Fr= 1--      0.0514                 0.1490                 0.0086
 AlphaG Fr= 1--     -0.0038                 0.0038                -0.0046
 Gamma2 Fr= 1--     -0.1694                 0.0896                -0.0002
 Delta2 Fr= 1--     -0.0136                -0.0705                 0.0063
 Raman1 Fr= 1--       1.495                  4.362                  0.338
 ROA1   Fr= 1--     -16.692                  6.342                  0.177
 CID1   Fr= 1--     -11.168                  1.454                  0.524
 Raman2 Fr= 1--       0.617                  1.788                  0.103
 ROA2   Fr= 1--      -3.956                  2.713                 -0.056
 CID2   Fr= 1--      -6.416                  1.517                 -0.543
 Raman3 Fr= 1--       1.233                  3.576                  0.206
 ROA3   Fr= 1--     -16.692                  6.342                  0.177
 CID3   Fr= 1--     -13.536                  1.773                  0.860
 RC180  Fr= 1--       0.650                  0.640                  0.218
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.03   0.17    -0.04   0.00  -0.09     0.02  -0.01   0.04
     2   6     0.02   0.02   0.00     0.06  -0.02  -0.03     0.01  -0.01   0.01
     3   6    -0.00  -0.04  -0.04    -0.04  -0.11  -0.17     0.01  -0.00   0.00
     4   6     0.01   0.01  -0.01    -0.03   0.01  -0.01    -0.00  -0.01   0.01
     5   8    -0.00   0.06  -0.10     0.28  -0.01   0.19    -0.00  -0.01   0.00
     6   1     0.32   0.08   0.25    -0.17  -0.00  -0.13     0.15  -0.03   0.08
     7   1    -0.07   0.01   0.40     0.04   0.03  -0.22    -0.04  -0.01   0.15
     8   1    -0.03  -0.11  -0.00    -0.05  -0.31  -0.09     0.00   0.02  -0.00
     9   1    -0.01  -0.05  -0.12    -0.06  -0.13  -0.35     0.01  -0.00   0.02
    10   1     0.10   0.13   0.00     0.09   0.01   0.07    -0.01  -0.05   0.02
    11   6    -0.13   0.01   0.13    -0.21   0.14   0.06    -0.01   0.02  -0.02
    12   1    -0.22  -0.11   0.12    -0.36   0.16  -0.05    -0.13   0.46  -0.31
    13   1    -0.11   0.05   0.14    -0.22   0.24   0.21    -0.29  -0.08   0.42
    14   1    -0.16   0.10   0.23    -0.21   0.14   0.06     0.38  -0.29  -0.18
    15   6    -0.02   0.01  -0.02    -0.01  -0.02   0.01     0.00   0.01  -0.07
    16   6     0.06  -0.10  -0.14    -0.03   0.01   0.02    -0.03   0.01   0.02
    17   1    -0.01  -0.01  -0.04    -0.02   0.01   0.06    -0.00  -0.04  -0.18
    18   1    -0.16   0.07  -0.03     0.02  -0.10   0.02     0.03   0.14  -0.09
    19   1     0.21  -0.25  -0.10    -0.05   0.04   0.01    -0.10   0.03   0.01
    20   1     0.02  -0.11  -0.35    -0.02   0.02   0.05    -0.01   0.02   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    277.1194               338.0060               379.7991
 Red. masses --      1.5648                 2.2608                 1.9775
 Frc consts  --      0.0708                 0.1522                 0.1681
 IR Inten    --      0.1971                 0.3528                 0.7763
 RamAct Fr= 1--      0.0500                 0.7373                 0.7660
  Dep-P Fr= 1--      0.2478                 0.5306                 0.2538
  Dep-U Fr= 1--      0.3971                 0.6933                 0.4048
 Alpha2 Fr= 1--      0.0006                 0.0031                 0.0090
 Beta2  Fr= 1--      0.0033                 0.0852                 0.0517
 AlphaG Fr= 1--     -0.0013                 0.0083                -0.0091
 Gamma2 Fr= 1--      0.0348                 0.1316                -0.2756
 Delta2 Fr= 1--      0.0306                 0.0286                 0.0770
 Raman1 Fr= 1--       0.200                  2.949                  3.064
 ROA1   Fr= 1--       4.321                 13.550                -23.994
 CID1   Fr= 1--      21.617                  4.594                 -7.832
 Raman2 Fr= 1--       0.040                  1.022                  0.620
 ROA2   Fr= 1--       0.591                  2.930                 -7.230
 CID2   Fr= 1--      14.893                  2.866                -11.660
 Raman3 Fr= 1--       0.079                  2.045                  1.240
 ROA3   Fr= 1--       4.321                 13.550                -23.994
 CID3   Fr= 1--      54.434                  6.627                -19.347
 RC180  Fr= 1--      -0.206                  0.387                 -0.190
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.05    -0.05   0.03  -0.05     0.08   0.00   0.01
     2   6    -0.00   0.02  -0.01     0.01   0.02   0.08     0.07   0.00  -0.03
     3   6     0.00   0.07   0.00     0.05  -0.05   0.13     0.09   0.14   0.03
     4   6     0.00   0.03  -0.06     0.04  -0.08   0.07    -0.04  -0.07  -0.05
     5   8    -0.03  -0.01   0.01    -0.03   0.05  -0.02     0.02  -0.04  -0.01
     6   1    -0.22   0.07  -0.11    -0.25  -0.05  -0.11     0.20   0.07   0.05
     7   1     0.09   0.01  -0.22     0.06   0.10  -0.24     0.00   0.03   0.14
     8   1    -0.00   0.14  -0.02    -0.00  -0.02   0.13     0.11   0.52  -0.12
     9   1     0.01   0.07   0.07     0.10  -0.07   0.13     0.19   0.16   0.42
    10   1     0.01   0.09  -0.08     0.03  -0.04   0.05    -0.05  -0.13  -0.04
    11   6    -0.02  -0.05   0.03    -0.01   0.16  -0.09    -0.14   0.01  -0.06
    12   1    -0.13   0.16  -0.14    -0.04   0.30  -0.17    -0.24  -0.09  -0.07
    13   1    -0.24  -0.17   0.29     0.10   0.39   0.02    -0.03   0.17  -0.04
    14   1     0.28  -0.19   0.04    -0.16   0.09  -0.32    -0.31   0.10  -0.05
    15   6    -0.00  -0.05   0.14    -0.04   0.00  -0.01    -0.01  -0.07   0.02
    16   6     0.06  -0.01  -0.08     0.04  -0.15  -0.02    -0.05  -0.02   0.04
    17   1     0.03   0.07   0.40    -0.11   0.00  -0.05    -0.05  -0.04   0.07
    18   1    -0.09  -0.32   0.18    -0.03   0.02  -0.02    -0.00  -0.11   0.02
    19   1     0.24  -0.06  -0.06     0.18  -0.33   0.02    -0.14   0.10   0.01
    20   1     0.04  -0.01  -0.24    -0.05  -0.21  -0.25    -0.01   0.00   0.18
                      7                      8                      9
                      A                      A                      A
 Frequencies --    409.7323               465.3983               484.5947
 Red. masses --      3.2142                 2.9942                 3.5321
 Frc consts  --      0.3179                 0.3821                 0.4887
 IR Inten    --      1.3395                 4.5495                 7.5731
 RamAct Fr= 1--      1.4726                 0.7321                 0.9070
  Dep-P Fr= 1--      0.6811                 0.1987                 0.7489
  Dep-U Fr= 1--      0.8103                 0.3315                 0.8564
 Alpha2 Fr= 1--      0.0018                 0.0100                 0.0000
 Beta2  Fr= 1--      0.1989                 0.0404                 0.1295
 AlphaG Fr= 1--     -0.0046                -0.0299                -0.0013
 Gamma2 Fr= 1--      0.0717                 0.3591                -0.6161
 Delta2 Fr= 1--     -0.2132                 0.0694                 0.1306
 Raman1 Fr= 1--       5.890                  2.929                  3.628
 ROA1   Fr= 1--       0.064                 36.692                -54.963
 CID1   Fr= 1--       0.011                 12.529                -15.149
 Raman2 Fr= 1--       2.387                  0.485                  1.554
 ROA2   Fr= 1--       3.427                  8.063                -15.830
 CID2   Fr= 1--       1.436                 16.613                -10.190
 Raman3 Fr= 1--       4.773                  0.971                  3.107
 ROA3   Fr= 1--       0.064                 36.692                -54.963
 CID3   Fr= 1--       0.013                 37.799                -17.690
 RC180  Fr= 1--       0.621                 -0.337                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14   0.05  -0.06    -0.11  -0.06   0.05    -0.07  -0.14   0.02
     2   6     0.02   0.13   0.11     0.06  -0.09   0.18    -0.12  -0.05  -0.03
     3   6    -0.07  -0.04   0.00     0.05  -0.08   0.12    -0.12   0.05   0.09
     4   6    -0.07  -0.10  -0.06     0.13  -0.01  -0.16    -0.13   0.04   0.05
     5   8    -0.10   0.12   0.02     0.04   0.03  -0.10     0.21   0.17  -0.11
     6   1    -0.09  -0.13  -0.14    -0.32  -0.22  -0.01    -0.09  -0.20   0.01
     7   1     0.27   0.09  -0.28     0.00   0.09  -0.17    -0.02  -0.31  -0.03
     8   1    -0.29  -0.18   0.12    -0.13   0.01   0.14     0.04   0.33  -0.07
     9   1     0.07  -0.11  -0.25    -0.07  -0.04   0.15    -0.18   0.11   0.46
    10   1    -0.12  -0.12  -0.08     0.13   0.02  -0.17    -0.19   0.07  -0.00
    11   6    -0.14  -0.13  -0.04    -0.05  -0.01   0.01    -0.03  -0.03  -0.01
    12   1    -0.23  -0.20  -0.06    -0.28  -0.17  -0.07     0.08   0.03   0.03
    13   1    -0.17  -0.14   0.01    -0.06   0.05   0.13    -0.08  -0.14  -0.07
    14   1    -0.11  -0.08   0.06    -0.04   0.10   0.19     0.05  -0.09  -0.04
    15   6     0.17   0.02  -0.03    -0.03   0.04  -0.01     0.10  -0.05  -0.00
    16   6     0.09  -0.03   0.09    -0.02   0.14  -0.07     0.07  -0.02   0.03
    17   1     0.04   0.00  -0.15     0.13  -0.00  -0.00     0.14  -0.13  -0.15
    18   1     0.30   0.11  -0.04    -0.10   0.05  -0.02     0.17   0.10  -0.03
    19   1     0.03   0.08   0.06    -0.16   0.43  -0.14     0.15  -0.16   0.06
    20   1     0.15   0.01   0.19    -0.05   0.08   0.26     0.13   0.06  -0.15
                     10                     11                     12
                      A                      A                      A
 Frequencies --    521.5544               618.6865               722.9925
 Red. masses --      2.5700                 2.4260                 2.7736
 Frc consts  --      0.4119                 0.5471                 0.8542
 IR Inten    --      0.9538                 0.7989                 1.5092
 RamAct Fr= 1--      1.2565                 5.2493                17.4150
  Dep-P Fr= 1--      0.3521                 0.0631                 0.0275
  Dep-U Fr= 1--      0.5208                 0.1188                 0.0536
 Alpha2 Fr= 1--      0.0110                 0.1005                 0.3628
 Beta2  Fr= 1--      0.1091                 0.1039                 0.1556
 AlphaG Fr= 1--      0.0248                -0.1743                 0.2489
 Gamma2 Fr= 1--      0.3783                -0.4054                -0.2554
 Delta2 Fr= 1--     -0.2921                -0.1268                -0.1365
 Raman1 Fr= 1--       5.026                 20.997                 69.660
 ROA1   Fr= 1--      26.967                -42.978                -28.884
 CID1   Fr= 1--       5.365                 -2.047                 -0.415
 Raman2 Fr= 1--       1.309                  1.247                  1.867
 ROA2   Fr= 1--      11.416                 -8.716                 -5.037
 CID2   Fr= 1--       8.722                 -6.990                 -2.698
 Raman3 Fr= 1--       2.618                  2.494                  3.734
 ROA3   Fr= 1--      26.967                -42.978                -28.884
 CID3   Fr= 1--      10.302                -17.232                 -7.734
 RC180  Fr= 1--       0.042                 -0.762                 -0.893
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.05   0.03     0.06   0.03   0.06     0.05   0.10  -0.12
     2   6    -0.09  -0.05  -0.10     0.18  -0.09   0.08     0.02  -0.07  -0.04
     3   6     0.03  -0.03  -0.03    -0.02   0.05  -0.05    -0.02  -0.11   0.21
     4   6     0.07  -0.08  -0.05    -0.13   0.08   0.04    -0.08   0.01   0.07
     5   8    -0.01  -0.08   0.05     0.02  -0.12  -0.09     0.05  -0.08  -0.03
     6   1    -0.14   0.17   0.03    -0.36  -0.03  -0.06     0.42   0.20  -0.01
     7   1    -0.05  -0.15  -0.01     0.26   0.31  -0.34    -0.14   0.01   0.23
     8   1     0.16   0.22  -0.17    -0.07   0.04  -0.03    -0.03  -0.23   0.26
     9   1     0.07  -0.00   0.25    -0.11   0.07  -0.03    -0.06  -0.12   0.09
    10   1     0.05  -0.11  -0.05    -0.10   0.02   0.08    -0.15   0.09  -0.00
    11   6    -0.05  -0.05  -0.02    -0.03  -0.01  -0.01    -0.08  -0.05  -0.05
    12   1    -0.19  -0.14  -0.07     0.15   0.04   0.08     0.01   0.01  -0.02
    13   1    -0.05   0.01   0.07    -0.07  -0.16  -0.15    -0.08  -0.09  -0.11
    14   1    -0.06   0.02   0.07     0.04  -0.07  -0.04    -0.08  -0.11  -0.13
    15   6     0.04   0.23   0.07    -0.03   0.06   0.04     0.03   0.13  -0.02
    16   6     0.10  -0.00   0.06    -0.04   0.00   0.04     0.01   0.10  -0.05
    17   1     0.00   0.09  -0.26    -0.06  -0.06  -0.23     0.03   0.30   0.34
    18   1     0.13   0.52   0.02     0.01   0.35  -0.01     0.01  -0.26   0.04
    19   1     0.34  -0.04   0.08     0.14  -0.20   0.09     0.04   0.01  -0.03
    20   1    -0.06  -0.13  -0.14    -0.04   0.05  -0.27    -0.02   0.09  -0.14
                     13                     14                     15
                      A                      A                      A
 Frequencies --    801.0996               828.3444               883.2315
 Red. masses --      2.4096                 1.7213                 1.7372
 Frc consts  --      0.9111                 0.6959                 0.7984
 IR Inten    --      2.5253                 1.0839                 4.6868
 RamAct Fr= 1--      1.7926                 2.5129                 0.7037
  Dep-P Fr= 1--      0.4939                 0.2737                 0.6356
  Dep-U Fr= 1--      0.6612                 0.4297                 0.7772
 Alpha2 Fr= 1--      0.0091                 0.0278                 0.0015
 Beta2  Fr= 1--      0.1976                 0.1800                 0.0912
 AlphaG Fr= 1--      0.0094                -0.0252                -0.0245
 Gamma2 Fr= 1--      1.0189                 0.8022                -0.3783
 Delta2 Fr= 1--      0.2179                -0.6973                -0.1016
 Raman1 Fr= 1--       7.170                 10.052                  2.815
 ROA1   Fr= 1--     104.789                 54.693                -39.569
 CID1   Fr= 1--      14.614                  5.441                -14.057
 Raman2 Fr= 1--       2.371                  2.160                  1.094
 ROA2   Fr= 1--      22.711                 24.830                 -8.267
 CID2   Fr= 1--       9.580                 11.497                 -7.558
 Raman3 Fr= 1--       4.741                  4.320                  2.188
 ROA3   Fr= 1--     104.789                 54.693                -39.569
 CID3   Fr= 1--      22.102                 12.662                -18.087
 RC180  Fr= 1--       0.322                 -0.141                  0.554
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10  -0.13   0.02    -0.07  -0.03  -0.10    -0.05   0.07   0.04
     2   6     0.03   0.07   0.01     0.06   0.00   0.02    -0.00   0.02  -0.09
     3   6     0.21   0.03  -0.01    -0.01   0.07   0.05     0.04  -0.00   0.10
     4   6    -0.05   0.02   0.07     0.03   0.05  -0.09    -0.02   0.06   0.00
     5   8    -0.04   0.03   0.03     0.01  -0.01  -0.02     0.01  -0.03   0.01
     6   1    -0.02  -0.12   0.05     0.32   0.07   0.02    -0.20   0.34   0.02
     7   1    -0.12  -0.21   0.07    -0.30  -0.01   0.27     0.01   0.05  -0.06
     8   1     0.20  -0.23   0.09    -0.24  -0.16   0.20     0.10  -0.20   0.15
     9   1     0.35  -0.05  -0.33    -0.10   0.06  -0.25     0.06  -0.03  -0.11
    10   1     0.02  -0.06   0.14    -0.08  -0.03  -0.12    -0.02   0.27  -0.07
    11   6    -0.09  -0.07  -0.06     0.02   0.02  -0.02    -0.05  -0.01  -0.03
    12   1     0.02   0.02  -0.03    -0.16  -0.15  -0.06     0.06   0.02   0.03
    13   1    -0.05  -0.06  -0.13    -0.07  -0.04   0.07    -0.08  -0.12  -0.12
    14   1    -0.14  -0.13  -0.20     0.11   0.14   0.23     0.02  -0.06  -0.05
    15   6     0.03  -0.01   0.03    -0.05  -0.05   0.03    -0.03  -0.11   0.01
    16   6    -0.05   0.12  -0.04     0.01  -0.03   0.12     0.11  -0.04  -0.02
    17   1     0.30  -0.12  -0.05    -0.18  -0.11  -0.17    -0.10  -0.24  -0.29
    18   1     0.07   0.08   0.01     0.26   0.07   0.01    -0.16   0.25  -0.05
    19   1     0.17  -0.14   0.03     0.29  -0.12   0.15    -0.10   0.25  -0.09
    20   1    -0.04   0.17  -0.37    -0.05  -0.05  -0.16     0.33   0.11   0.34
                     16                     17                     18
                      A                      A                      A
 Frequencies --    912.1429               960.1166               976.4474
 Red. masses --      1.8120                 2.3242                 1.5111
 Frc consts  --      0.8883                 1.2623                 0.8489
 IR Inten    --      1.9760                 0.5660                 0.1330
 RamAct Fr= 1--      1.2862                 4.5904                 1.9218
  Dep-P Fr= 1--      0.2414                 0.5861                 0.6747
  Dep-U Fr= 1--      0.3890                 0.7391                 0.8058
 Alpha2 Fr= 1--      0.0156                 0.0141                 0.0026
 Beta2  Fr= 1--      0.0834                 0.5654                 0.2581
 AlphaG Fr= 1--      0.0249                 0.0128                 0.0089
 Gamma2 Fr= 1--     -0.7994                 0.4102                -0.0362
 Delta2 Fr= 1--     -0.2799                -0.0724                -1.1608
 Raman1 Fr= 1--       5.145                 18.362                  7.687
 ROA1   Fr= 1--     -85.701                 37.062                -40.618
 CID1   Fr= 1--     -16.657                  2.018                 -5.284
 Raman2 Fr= 1--       1.001                  6.785                  3.097
 ROA2   Fr= 1--     -16.947                 10.424                  8.418
 CID2   Fr= 1--     -16.936                  1.536                  2.718
 Raman3 Fr= 1--       2.001                 13.571                  6.194
 ROA3   Fr= 1--     -85.701                 37.062                -40.618
 CID3   Fr= 1--     -42.824                  2.731                 -6.558
 RC180  Fr= 1--      -0.222                  0.478                  0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.05  -0.02    -0.14   0.02   0.02    -0.02   0.08   0.04
     2   6     0.03  -0.01   0.09     0.05  -0.03   0.04    -0.01  -0.00  -0.03
     3   6     0.04  -0.10  -0.10    -0.08   0.19  -0.06    -0.02  -0.04   0.00
     4   6    -0.03   0.03   0.00     0.05  -0.05   0.09    -0.02  -0.03   0.03
     5   8    -0.03   0.01   0.00     0.02  -0.04  -0.04    -0.00  -0.01   0.01
     6   1     0.12  -0.09   0.03    -0.02  -0.02   0.05    -0.12   0.11   0.02
     7   1    -0.27   0.30   0.18    -0.20   0.15   0.09    -0.03   0.37  -0.02
     8   1     0.01   0.31  -0.24    -0.10  -0.13   0.07     0.14   0.01  -0.06
     9   1     0.17  -0.08   0.30    -0.27   0.21  -0.28    -0.04  -0.03   0.10
    10   1     0.17   0.05   0.13     0.04  -0.00   0.07    -0.26  -0.29  -0.03
    11   6    -0.05   0.03  -0.00    -0.02  -0.11   0.01     0.07  -0.02  -0.01
    12   1     0.23   0.05   0.17    -0.05   0.11  -0.11    -0.29  -0.17  -0.18
    13   1    -0.15  -0.26  -0.24     0.19   0.25   0.11     0.08   0.19   0.28
    14   1     0.15  -0.06   0.01    -0.32  -0.17  -0.32    -0.06   0.15   0.15
    15   6    -0.01  -0.03  -0.07     0.04   0.04  -0.06     0.01  -0.10  -0.06
    16   6     0.11   0.00   0.05     0.11  -0.03  -0.00     0.02   0.11   0.01
    17   1    -0.04   0.06   0.10     0.16   0.12   0.18     0.15  -0.13  -0.03
    18   1     0.08  -0.23  -0.03    -0.08  -0.20  -0.02     0.00  -0.08  -0.06
    19   1     0.08  -0.01   0.05    -0.11   0.03  -0.02     0.10  -0.20   0.08
    20   1     0.17   0.06   0.05     0.15  -0.03   0.22     0.17   0.29  -0.27
                     19                     20                     21
                      A                      A                      A
 Frequencies --    989.3570              1028.4673              1063.1149
 Red. masses --      1.7605                 1.7996                 1.7636
 Frc consts  --      1.0153                 1.1215                 1.1744
 IR Inten    --      7.4907                 2.2655                 2.3773
 RamAct Fr= 1--      1.6899                 1.2089                 5.7802
  Dep-P Fr= 1--      0.7498                 0.7260                 0.7265
  Dep-U Fr= 1--      0.8570                 0.8413                 0.8416
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0023
 Beta2  Fr= 1--      0.2414                 0.1695                 0.8108
 AlphaG Fr= 1--      0.0018                 0.0068                -0.0238
 Gamma2 Fr= 1--     -0.6613                 0.1609                 1.6779
 Delta2 Fr= 1--     -0.9714                -0.2256                 0.0362
 Raman1 Fr= 1--       6.759                  4.836                 23.121
 ROA1   Fr= 1--     -94.571                  8.227                162.237
 CID1   Fr= 1--     -13.991                  1.701                  7.017
 Raman2 Fr= 1--       2.896                  2.034                  9.729
 ROA2   Fr= 1--      -8.100                  5.667                 39.980
 CID2   Fr= 1--      -2.797                  2.786                  4.109
 Raman3 Fr= 1--       5.793                  4.068                 19.458
 ROA3   Fr= 1--     -94.571                  8.227                162.237
 CID3   Fr= 1--     -16.326                  2.022                  8.338
 RC180  Fr= 1--       0.714                  0.683                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.06     0.10   0.01  -0.04    -0.04   0.08   0.03
     2   6     0.06   0.03   0.01    -0.07  -0.03   0.02    -0.01  -0.00  -0.03
     3   6    -0.06  -0.03  -0.01    -0.02  -0.02  -0.01    -0.02   0.00   0.02
     4   6    -0.06  -0.11  -0.03     0.13   0.05   0.01     0.10   0.03  -0.00
     5   8    -0.01  -0.01  -0.00    -0.01   0.04   0.01    -0.00  -0.00   0.01
     6   1     0.12   0.25  -0.00     0.09  -0.12  -0.04    -0.09   0.28   0.03
     7   1    -0.13   0.01   0.10     0.05   0.19  -0.00    -0.06   0.25   0.02
     8   1    -0.35   0.18  -0.01     0.24  -0.03  -0.08    -0.03  -0.01   0.03
     9   1     0.15  -0.08   0.09    -0.32   0.08   0.12    -0.24   0.06   0.05
    10   1     0.03   0.04  -0.03     0.31   0.18   0.09     0.24   0.05   0.08
    11   6     0.04   0.01   0.12    -0.06  -0.10  -0.00    -0.05   0.01  -0.04
    12   1     0.21   0.26   0.11     0.03   0.11  -0.05     0.06  -0.03   0.05
    13   1     0.23   0.21   0.05     0.10   0.09  -0.06    -0.13  -0.18  -0.17
    14   1    -0.14  -0.12  -0.23    -0.24  -0.21  -0.33     0.09  -0.03   0.01
    15   6     0.03  -0.05   0.08    -0.09  -0.07   0.02     0.14  -0.06   0.01
    16   6    -0.02   0.06  -0.08    -0.01   0.08   0.03    -0.13  -0.04  -0.01
    17   1     0.15  -0.22  -0.22    -0.32  -0.09  -0.16     0.49  -0.17  -0.01
    18   1     0.20   0.25   0.03     0.16   0.08   0.00     0.28  -0.03   0.01
    19   1     0.17   0.24  -0.10     0.29   0.09   0.04    -0.14  -0.17   0.02
    20   1    -0.04   0.04  -0.05    -0.05   0.06  -0.16    -0.32  -0.23  -0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1114.3758              1141.9120              1154.8234
 Red. masses --      1.5765                 1.9878                 1.6356
 Frc consts  --      1.1535                 1.5272                 1.2852
 IR Inten    --      5.7519                 0.7543                18.9675
 RamAct Fr= 1--      2.2141                 2.5278                 2.0310
  Dep-P Fr= 1--      0.6337                 0.3550                 0.7238
  Dep-U Fr= 1--      0.7758                 0.5240                 0.8398
 Alpha2 Fr= 1--      0.0047                 0.0218                 0.0009
 Beta2  Fr= 1--      0.2863                 0.2208                 0.2843
 AlphaG Fr= 1--     -0.0142                -0.0109                -0.0074
 Gamma2 Fr= 1--     -1.5555                 0.2407                -0.4852
 Delta2 Fr= 1--     -1.3875                 0.3805                -1.7322
 Raman1 Fr= 1--       8.857                 10.111                  8.124
 ROA1   Fr= 1--    -193.725                 35.281               -102.013
 CID1   Fr= 1--     -21.874                  3.489                -12.557
 Raman2 Fr= 1--       3.435                  2.649                  3.411
 ROA2   Fr= 1--     -26.232                  2.732                  2.213
 CID2   Fr= 1--      -7.636                  1.031                  0.649
 Raman3 Fr= 1--       6.871                  5.298                  6.822
 ROA3   Fr= 1--    -193.725                 35.281               -102.013
 CID3   Fr= 1--     -28.196                  6.659                -14.953
 RC180  Fr= 1--       0.552                  0.048                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05   0.02    -0.01   0.01  -0.11     0.02  -0.09  -0.02
     2   6    -0.04  -0.04   0.03     0.06  -0.01   0.12     0.07   0.07  -0.05
     3   6     0.07  -0.01  -0.01    -0.01  -0.06  -0.08    -0.09  -0.01  -0.00
     4   6    -0.10   0.07  -0.06     0.01   0.10   0.09     0.02  -0.02   0.11
     5   8     0.00  -0.00  -0.00    -0.03   0.03  -0.00    -0.01   0.00   0.01
     6   1     0.03  -0.24   0.02     0.17   0.34  -0.03     0.09  -0.22  -0.01
     7   1    -0.08   0.24   0.04    -0.08  -0.36   0.11    -0.07   0.39   0.01
     8   1     0.45  -0.15  -0.07     0.18   0.07  -0.18     0.23  -0.02  -0.08
     9   1     0.05  -0.01  -0.06    -0.18   0.02   0.22     0.15  -0.06   0.10
    10   1    -0.23   0.27  -0.22    -0.04   0.01   0.10    -0.15   0.26  -0.11
    11   6     0.05  -0.03   0.03     0.03  -0.05  -0.07     0.00   0.01  -0.06
    12   1    -0.06   0.08  -0.08    -0.25  -0.17  -0.19    -0.11  -0.15  -0.05
    13   1     0.15   0.20   0.15     0.00   0.07   0.17    -0.11  -0.08   0.04
    14   1    -0.13   0.02  -0.05    -0.09   0.09   0.07     0.08   0.08   0.12
    15   6     0.08   0.01   0.02     0.03   0.01   0.10    -0.08   0.02   0.03
    16   6    -0.05  -0.09  -0.02    -0.02  -0.05  -0.07     0.06   0.02  -0.03
    17   1    -0.12   0.06   0.00     0.02  -0.09  -0.12     0.33  -0.12  -0.03
    18   1     0.43  -0.09   0.04    -0.16   0.26   0.05     0.02   0.06   0.03
    19   1     0.03   0.19  -0.07    -0.31  -0.08  -0.07     0.13   0.24  -0.06
    20   1    -0.08  -0.13   0.10     0.14   0.07   0.14    -0.31  -0.34   0.14
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1197.3847              1238.5635              1252.4262
 Red. masses --      1.8618                 1.4945                 1.4973
 Frc consts  --      1.5728                 1.3508                 1.3837
 IR Inten    --     16.1840                 6.2650                19.4963
 RamAct Fr= 1--      3.5139                 1.1868                 4.4430
  Dep-P Fr= 1--      0.7451                 0.3499                 0.4900
  Dep-U Fr= 1--      0.8539                 0.5184                 0.6577
 Alpha2 Fr= 1--      0.0003                 0.0104                 0.0230
 Beta2  Fr= 1--      0.5001                 0.1025                 0.4870
 AlphaG Fr= 1--      0.0143                 0.0632                 0.0534
 Gamma2 Fr= 1--      4.5578                 1.0422                 1.6091
 Delta2 Fr= 1--      0.9460                 0.7094                -0.0272
 Raman1 Fr= 1--      14.056                  4.747                 17.772
 ROA1   Fr= 1--     467.823                122.750                153.607
 CID1   Fr= 1--      33.284                 25.858                  8.643
 Raman2 Fr= 1--       6.001                  1.230                  5.845
 ROA2   Fr= 1--     101.819                 19.336                 38.837
 CID2   Fr= 1--      16.966                 15.716                  6.645
 Raman3 Fr= 1--      12.003                  2.461                 11.689
 ROA3   Fr= 1--     467.823                122.750                153.607
 CID3   Fr= 1--      38.976                 49.884                 13.141
 RC180  Fr= 1--       0.708                  0.037                  0.315
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.05    -0.05   0.05   0.07     0.04   0.01  -0.01
     2   6     0.08   0.08  -0.07     0.06   0.05  -0.06    -0.13  -0.10   0.05
     3   6    -0.03  -0.09   0.01    -0.03  -0.01   0.00     0.00   0.04  -0.02
     4   6     0.02   0.14  -0.04     0.03  -0.01   0.10     0.00   0.04   0.06
     5   8    -0.01  -0.02   0.01     0.00  -0.03  -0.00     0.04  -0.00  -0.02
     6   1    -0.11   0.05   0.03    -0.05  -0.35   0.04    -0.01   0.15  -0.02
     7   1     0.07  -0.19  -0.06     0.05  -0.26  -0.03    -0.02   0.26   0.02
     8   1    -0.32   0.22  -0.03    -0.27   0.10   0.03    -0.40   0.15   0.05
     9   1     0.21  -0.13   0.15    -0.00  -0.01   0.07     0.67  -0.16  -0.22
    10   1    -0.00   0.47  -0.18     0.13   0.08   0.13     0.19   0.14   0.14
    11   6     0.02  -0.09   0.02     0.01   0.00  -0.06     0.02  -0.03  -0.04
    12   1    -0.11   0.08  -0.15    -0.11  -0.16  -0.06    -0.13  -0.09  -0.11
    13   1     0.17   0.20   0.11    -0.08  -0.06   0.05    -0.00   0.03   0.09
    14   1    -0.24  -0.07  -0.17     0.04   0.07   0.08    -0.04   0.06   0.04
    15   6    -0.01   0.01  -0.06     0.02  -0.02   0.01     0.01  -0.01   0.02
    16   6    -0.02  -0.01   0.10    -0.04  -0.00  -0.07     0.01   0.01  -0.02
    17   1     0.12   0.05   0.10    -0.45   0.09  -0.05    -0.08  -0.01  -0.02
    18   1    -0.11  -0.14  -0.04     0.50  -0.12   0.03     0.03   0.05   0.01
    19   1    -0.07  -0.23   0.14     0.07   0.18  -0.10    -0.06  -0.03  -0.01
    20   1    -0.09  -0.06  -0.04     0.12   0.15  -0.03    -0.09  -0.08   0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1276.6638              1307.5422              1343.8657
 Red. masses --      1.3477                 1.4455                 1.4351
 Frc consts  --      1.2942                 1.4561                 1.5270
 IR Inten    --      4.8543                 6.7854                 1.4483
 RamAct Fr= 1--      3.1789                 4.1497                 1.8297
  Dep-P Fr= 1--      0.4894                 0.6759                 0.6234
  Dep-U Fr= 1--      0.6572                 0.8066                 0.7680
 Alpha2 Fr= 1--      0.0165                 0.0054                 0.0042
 Beta2  Fr= 1--      0.3482                 0.5579                 0.2342
 AlphaG Fr= 1--     -0.0130                -0.0217                -0.0122
 Gamma2 Fr= 1--      0.8797                -1.0492                 0.4968
 Delta2 Fr= 1--      0.4260                -0.2722                 0.1065
 Raman1 Fr= 1--      12.715                 16.599                  7.319
 ROA1   Fr= 1--      98.082               -109.433                 51.103
 CID1   Fr= 1--       7.714                 -6.593                  6.982
 Raman2 Fr= 1--       4.178                  6.694                  2.811
 ROA2   Fr= 1--      17.705                -23.003                 11.072
 CID2   Fr= 1--       4.237                 -3.436                  3.939
 Raman3 Fr= 1--       8.357                 13.389                  5.621
 ROA3   Fr= 1--      98.082               -109.433                 51.103
 CID3   Fr= 1--      11.737                 -8.173                  9.091
 RC180  Fr= 1--       0.314                  0.613                  0.536
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.04  -0.02    -0.03   0.01  -0.02     0.01  -0.13   0.01
     2   6    -0.03   0.03  -0.08     0.03   0.01   0.01     0.01   0.01  -0.01
     3   6     0.06  -0.04   0.02    -0.13   0.03   0.02    -0.01   0.00   0.01
     4   6    -0.01   0.05  -0.02     0.10  -0.04  -0.04    -0.03  -0.07  -0.01
     5   8     0.00  -0.00   0.01     0.01  -0.02  -0.01    -0.01   0.02   0.01
     6   1     0.13  -0.46  -0.02     0.09  -0.21   0.00    -0.04   0.47   0.03
     7   1    -0.11   0.49   0.03    -0.05   0.05   0.02    -0.03   0.31  -0.04
     8   1    -0.33   0.12   0.07     0.37  -0.10  -0.07     0.09  -0.05  -0.00
     9   1    -0.23   0.04   0.01     0.46  -0.13  -0.03    -0.11   0.03   0.04
    10   1     0.07  -0.18   0.11    -0.05   0.13  -0.20     0.36   0.36   0.09
    11   6     0.01  -0.01   0.01    -0.03   0.01   0.01     0.02   0.01  -0.03
    12   1    -0.03   0.02  -0.03     0.08   0.03   0.07    -0.01  -0.07  -0.01
    13   1     0.03   0.02   0.01     0.01  -0.01  -0.10    -0.01   0.03   0.09
    14   1    -0.05  -0.01  -0.04     0.09  -0.07  -0.03     0.06   0.07   0.10
    15   6    -0.00   0.04   0.09     0.04   0.01   0.05     0.01   0.07  -0.02
    16   6     0.00  -0.05  -0.03    -0.05   0.01   0.00    -0.07  -0.06   0.02
    17   1     0.13  -0.04  -0.02    -0.13   0.02  -0.02    -0.03   0.13   0.08
    18   1    -0.07   0.17   0.07    -0.06   0.12   0.04     0.08  -0.08   0.01
    19   1    -0.26  -0.16  -0.02    -0.28  -0.36   0.06     0.12   0.13  -0.01
    20   1     0.25   0.17   0.06     0.27   0.31  -0.07     0.34   0.35  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1346.4949              1373.4657              1377.0396
 Red. masses --      1.3480                 1.4145                 1.3904
 Frc consts  --      1.4399                 1.5721                 1.5534
 IR Inten    --      6.6765                 4.4183                 1.5841
 RamAct Fr= 1--      1.6132                 0.8823                 3.3163
  Dep-P Fr= 1--      0.7373                 0.6796                 0.7442
  Dep-U Fr= 1--      0.8488                 0.8093                 0.8533
 Alpha2 Fr= 1--      0.0003                 0.0011                 0.0003
 Beta2  Fr= 1--      0.2282                 0.1190                 0.4716
 AlphaG Fr= 1--      0.0034                 0.0223                 0.0018
 Gamma2 Fr= 1--      1.2245                -1.0011                 2.6093
 Delta2 Fr= 1--      0.2839                -0.2597                 1.5499
 Raman1 Fr= 1--       6.453                  3.529                 13.265
 ROA1   Fr= 1--     126.638               -104.420                300.093
 CID1   Fr= 1--      19.625                -29.588                 22.623
 Raman2 Fr= 1--       2.739                  1.428                  5.660
 ROA2   Fr= 1--      27.118                -21.949                 50.225
 CID2   Fr= 1--       9.902                -15.371                  8.874
 Raman3 Fr= 1--       5.477                  2.856                 11.319
 ROA3   Fr= 1--     126.638               -104.420                300.093
 CID3   Fr= 1--      23.121                -36.562                 26.511
 RC180  Fr= 1--       0.698                  0.619                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.12  -0.03     0.04   0.01   0.00     0.00   0.01   0.01
     2   6    -0.03  -0.02   0.02    -0.04  -0.03   0.03     0.03   0.02  -0.01
     3   6     0.02   0.02  -0.01     0.03   0.00  -0.03    -0.09   0.01   0.05
     4   6    -0.05  -0.06  -0.00     0.05  -0.01   0.02    -0.05   0.07  -0.08
     5   8     0.01  -0.01  -0.01     0.00   0.01  -0.00     0.00  -0.01  -0.00
     6   1     0.10  -0.42  -0.04    -0.07   0.13  -0.02    -0.01  -0.00   0.01
     7   1     0.03  -0.26   0.02     0.07  -0.15   0.01     0.05  -0.12  -0.03
     8   1     0.00  -0.03   0.01    -0.11   0.07  -0.01     0.28  -0.12   0.00
     9   1    -0.03   0.03  -0.03    -0.01   0.01  -0.05     0.23  -0.08   0.03
    10   1     0.30   0.41   0.05    -0.30   0.07  -0.24     0.46  -0.44   0.45
    11   6     0.02   0.00  -0.03    -0.02   0.01   0.01     0.02  -0.03  -0.00
    12   1    -0.01  -0.05  -0.02     0.03  -0.00   0.05    -0.01   0.09  -0.07
    13   1    -0.00   0.04   0.10    -0.01  -0.02  -0.05     0.07   0.08   0.04
    14   1     0.04   0.08   0.10     0.03  -0.06  -0.04    -0.05   0.05   0.06
    15   6    -0.03  -0.02  -0.01    -0.15   0.04  -0.00    -0.07   0.02  -0.01
    16   6    -0.04  -0.02   0.05     0.01  -0.03  -0.02     0.04  -0.03  -0.01
    17   1     0.47  -0.13   0.04     0.43  -0.10   0.04     0.22  -0.06  -0.00
    18   1    -0.27   0.12  -0.03     0.62  -0.11   0.04     0.28  -0.10   0.02
    19   1     0.20   0.09   0.04    -0.14  -0.12  -0.01    -0.07   0.03  -0.03
    20   1     0.12   0.14  -0.04     0.26   0.19   0.05     0.03  -0.04   0.04
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1387.6987              1417.5781              1449.7409
 Red. masses --      1.4461                 1.2303                 1.0810
 Frc consts  --      1.6407                 1.4567                 1.3386
 IR Inten    --      2.1634                 5.2225                 7.9061
 RamAct Fr= 1--      2.1108                 0.1666                 6.7614
  Dep-P Fr= 1--      0.7062                 0.6447                 0.6934
  Dep-U Fr= 1--      0.8278                 0.7840                 0.8190
 Alpha2 Fr= 1--      0.0016                 0.0003                 0.0067
 Beta2  Fr= 1--      0.2912                 0.0218                 0.9229
 AlphaG Fr= 1--     -0.0039                -0.0025                -0.0288
 Gamma2 Fr= 1--      0.8367                -0.1216                 0.8151
 Delta2 Fr= 1--     -0.4789                -0.0734                -0.4545
 Raman1 Fr= 1--       8.443                  0.666                 27.046
 ROA1   Fr= 1--      64.999                -14.023                 63.702
 CID1   Fr= 1--       7.698                -21.046                  2.355
 Raman2 Fr= 1--       3.495                  0.261                 11.075
 ROA2   Fr= 1--      23.912                 -2.331                 23.198
 CID2   Fr= 1--       6.842                 -8.924                  2.095
 Raman3 Fr= 1--       6.989                  0.522                 22.149
 ROA3   Fr= 1--      64.999                -14.023                 63.702
 CID3   Fr= 1--       9.300                -26.846                  2.876
 RC180  Fr= 1--       0.656                  0.568                  0.638
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00     0.00  -0.00   0.00    -0.07   0.00   0.03
     2   6    -0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.01   0.01
     3   6    -0.03  -0.01   0.00     0.01  -0.00  -0.01     0.01  -0.00   0.00
     4   6     0.09   0.09   0.04     0.01   0.00   0.01    -0.00  -0.01  -0.00
     5   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     6   1     0.07   0.01   0.01    -0.02  -0.01  -0.00     0.67   0.09   0.21
     7   1     0.02   0.04  -0.05    -0.01   0.01   0.01     0.33   0.05  -0.60
     8   1    -0.05   0.10  -0.04    -0.06  -0.02   0.02    -0.01   0.03  -0.01
     9   1     0.20  -0.08  -0.04    -0.03   0.01   0.06    -0.02   0.00  -0.04
    10   1    -0.29  -0.38  -0.04    -0.05   0.01  -0.03    -0.00   0.03  -0.01
    11   6    -0.04  -0.02   0.01    -0.09  -0.07  -0.08    -0.00  -0.00  -0.00
    12   1     0.05   0.09   0.01     0.50   0.23   0.18     0.01   0.00   0.01
    13   1     0.05   0.04  -0.08     0.16   0.47   0.27    -0.00   0.01   0.01
    14   1     0.02  -0.04   0.02     0.27   0.12   0.46     0.00   0.00   0.01
    15   6     0.02   0.02  -0.02     0.00  -0.01   0.01    -0.01  -0.00   0.01
    16   6    -0.09  -0.10   0.01     0.01   0.02  -0.01     0.01   0.01  -0.01
    17   1     0.16   0.00   0.02    -0.06  -0.00  -0.02     0.01  -0.04  -0.05
    18   1    -0.22  -0.03  -0.02     0.02  -0.00   0.00     0.01  -0.06   0.01
    19   1     0.51   0.47  -0.07    -0.07  -0.03  -0.01     0.02  -0.09   0.02
    20   1     0.21   0.18  -0.00    -0.05  -0.04  -0.01    -0.01  -0.02   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1473.8154              1496.5326              1499.3447
 Red. masses --      1.0956                 1.0650                 1.0590
 Frc consts  --      1.4022                 1.4053                 1.4026
 IR Inten    --     10.7242                 1.9161                 3.7228
 RamAct Fr= 1--      5.4564                 2.6092                 5.9167
  Dep-P Fr= 1--      0.7500                 0.7388                 0.7470
  Dep-U Fr= 1--      0.8571                 0.8498                 0.8552
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0003
 Beta2  Fr= 1--      0.7795                 0.3695                 0.8433
 AlphaG Fr= 1--      0.0003                -0.0067                -0.0002
 Gamma2 Fr= 1--     -0.6756                -2.9072                 2.1586
 Delta2 Fr= 1--      0.0740                -2.2762                 1.1662
 Raman1 Fr= 1--      21.826                 10.437                 23.667
 ROA1   Fr= 1--     -62.491               -351.929                244.548
 CID1   Fr= 1--      -2.863                -33.720                 10.333
 Raman2 Fr= 1--       9.354                  4.435                 10.120
 ROA2   Fr= 1--     -16.806                -51.563                 42.478
 CID2   Fr= 1--      -1.797                -11.627                  4.198
 Raman3 Fr= 1--      18.708                  8.869                 20.239
 ROA3   Fr= 1--     -62.491               -351.929                244.548
 CID3   Fr= 1--      -3.340                -39.680                 12.083
 RC180  Fr= 1--       0.714                  0.700                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
     2   6    -0.01  -0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.01   0.00
     3   6     0.01   0.04  -0.07    -0.01   0.00   0.00     0.00   0.01  -0.01
     4   6     0.00   0.01  -0.00     0.02   0.01  -0.01     0.02  -0.03   0.02
     5   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   1     0.02  -0.01   0.01     0.04  -0.01   0.01     0.04  -0.01   0.01
     7   1     0.01   0.03  -0.02     0.02   0.00  -0.03     0.01   0.00  -0.03
     8   1    -0.20  -0.58   0.26     0.00  -0.00  -0.00    -0.02  -0.03   0.01
     9   1     0.17   0.07   0.65     0.04  -0.01   0.00     0.00   0.01   0.03
    10   1    -0.03  -0.01  -0.02    -0.03  -0.04  -0.03    -0.04   0.05  -0.05
    11   6    -0.00   0.01   0.01     0.01   0.02  -0.03     0.02  -0.04   0.02
    12   1    -0.08  -0.06  -0.01     0.27  -0.21   0.26    -0.05   0.53  -0.29
    13   1     0.05   0.03  -0.06    -0.28  -0.09   0.43    -0.01  -0.24  -0.28
    14   1     0.08  -0.07  -0.05    -0.25   0.01  -0.23    -0.23   0.31   0.32
    15   6     0.00   0.02   0.01     0.00   0.01   0.01     0.00   0.00   0.01
    16   6    -0.01  -0.01   0.00     0.02  -0.03   0.04     0.02  -0.01   0.02
    17   1     0.02  -0.07  -0.15     0.02  -0.07  -0.13    -0.00  -0.02  -0.04
    18   1    -0.05  -0.15   0.03    -0.05  -0.13   0.03    -0.01  -0.03   0.01
    19   1     0.01   0.01   0.00    -0.31   0.30  -0.06    -0.26   0.21  -0.05
    20   1     0.02   0.01  -0.00    -0.03   0.01  -0.43    -0.01   0.02  -0.34
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1503.6092              1507.2284              1786.0361
 Red. masses --      1.0565                 1.0880                11.4787
 Frc consts  --      1.4074                 1.4562                21.5737
 IR Inten    --     10.4819                 4.6270               214.6699
 RamAct Fr= 1--      4.6062                 4.2455                20.6790
  Dep-P Fr= 1--      0.7474                 0.5315                 0.4231
  Dep-U Fr= 1--      0.8554                 0.6941                 0.5946
 Alpha2 Fr= 1--      0.0002                 0.0179                 0.1407
 Beta2  Fr= 1--      0.6567                 0.4911                 2.0494
 AlphaG Fr= 1--      0.0030                 0.0023                 0.0754
 Gamma2 Fr= 1--      1.4156                -1.1407                 3.4686
 Delta2 Fr= 1--      0.5016                -0.2251                -1.0194
 Raman1 Fr= 1--      18.425                 16.982                 82.716
 ROA1   Fr= 1--     151.947               -116.711                300.367
 CID1   Fr= 1--       8.247                 -6.873                  3.631
 Raman2 Fr= 1--       7.881                  5.894                 24.593
 ROA2   Fr= 1--      29.962                -25.577                 91.403
 CID2   Fr= 1--       3.802                 -4.340                  3.717
 Raman3 Fr= 1--      15.762                 11.787                 49.185
 ROA3   Fr= 1--     151.947               -116.711                300.367
 CID3   Fr= 1--       9.640                 -9.901                  6.107
 RC180  Fr= 1--       0.711                  0.388                  0.189
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.01  -0.01   0.00     0.02  -0.05  -0.02
     2   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.35   0.62   0.31
     3   6     0.00  -0.01   0.01     0.00   0.01  -0.02     0.02  -0.04  -0.03
     4   6    -0.01   0.00   0.01     0.00   0.01  -0.00     0.01  -0.01  -0.00
     5   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.23  -0.40  -0.20
     6   1     0.04  -0.00   0.01     0.07   0.01   0.02     0.01   0.19   0.01
     7   1     0.02  -0.01  -0.03     0.03   0.01  -0.07     0.00   0.04  -0.00
     8   1     0.01   0.10  -0.04    -0.04  -0.14   0.06     0.15  -0.03  -0.04
     9   1    -0.03  -0.01  -0.10     0.04   0.01   0.15    -0.21   0.08   0.14
    10   1     0.03   0.03   0.04    -0.02  -0.04  -0.00    -0.01   0.01  -0.03
    11   6    -0.03   0.01   0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.27  -0.21  -0.05     0.02  -0.03   0.03    -0.01   0.02  -0.01
    13   1     0.31   0.27  -0.26    -0.02   0.00   0.04    -0.00  -0.02  -0.03
    14   1     0.46  -0.27  -0.04    -0.02  -0.02  -0.04     0.00   0.00   0.00
    15   6     0.00   0.00   0.01    -0.01  -0.07  -0.04    -0.00  -0.01  -0.00
    16   6     0.03  -0.02   0.03     0.01  -0.02   0.01    -0.00   0.00   0.00
    17   1     0.00  -0.03  -0.05     0.02   0.25   0.61    -0.01  -0.01   0.02
    18   1    -0.02  -0.04   0.01     0.16   0.64  -0.12     0.00   0.02  -0.01
    19   1    -0.29   0.28  -0.06    -0.09   0.12  -0.03     0.00   0.01   0.00
    20   1    -0.06  -0.02  -0.39    -0.01  -0.02  -0.13    -0.00  -0.00  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3005.3964              3015.4558              3025.4316
 Red. masses --      1.0720                 1.0713                 1.0367
 Frc consts  --      5.7047                 5.7392                 5.5907
 IR Inten    --     11.0776                 8.2867                19.7793
 RamAct Fr= 1--    112.0821                35.9064               226.6669
  Dep-P Fr= 1--      0.1472                 0.5093                 0.0039
  Dep-U Fr= 1--      0.2567                 0.6749                 0.0078
 Alpha2 Fr= 1--      1.7448                 0.1696                 4.9909
 Beta2  Fr= 1--      4.7949                 4.0390                 0.2965
 AlphaG Fr= 1--      1.2367                -0.8186                -0.8973
 Gamma2 Fr= 1--     22.7060                10.7818                -0.7570
 Delta2 Fr= 1--     10.9723                 6.0206                -1.4702
 Raman1 Fr= 1--     448.329                143.626                906.668
 ROA1   Fr= 1--    2530.892               1227.712               -119.713
 CID1   Fr= 1--       5.645                  8.548                 -0.132
 Raman2 Fr= 1--      57.539                 48.468                  3.558
 ROA2   Fr= 1--     457.166                210.598                 -6.406
 CID2   Fr= 1--       7.945                  4.345                 -1.801
 Raman3 Fr= 1--     115.079                 96.936                  7.115
 ROA3   Fr= 1--    2530.892               1227.712               -119.713
 CID3   Fr= 1--      21.993                 12.665                -16.825
 RC180  Fr= 1--      -0.487                  0.350                 -0.984
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00  -0.00  -0.01    -0.01  -0.00  -0.05     0.00   0.00   0.01
     4   6    -0.01   0.01   0.02    -0.02   0.01   0.04     0.00   0.00  -0.00
     5   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   1    -0.00   0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.02
     7   1     0.02   0.00   0.01    -0.02  -0.00  -0.01     0.03   0.00   0.02
     8   1     0.05   0.08   0.18     0.17   0.25   0.59    -0.05  -0.06  -0.16
     9   1    -0.02  -0.06   0.00    -0.05  -0.18   0.01     0.01   0.03  -0.00
    10   1     0.17  -0.09  -0.26     0.30  -0.16  -0.45    -0.01   0.00   0.01
    11   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.02  -0.02  -0.03
    12   1     0.01  -0.01  -0.02    -0.10   0.07   0.14    -0.32   0.22   0.47
    13   1    -0.05   0.04  -0.02     0.06  -0.04   0.02     0.42  -0.32   0.19
    14   1    -0.01  -0.03   0.02     0.02   0.04  -0.03     0.20   0.39  -0.27
    15   6    -0.00   0.00   0.02     0.00   0.00   0.00    -0.00  -0.00   0.00
    16   6    -0.01  -0.00  -0.07     0.01  -0.01   0.02    -0.00  -0.00  -0.01
    17   1    -0.00   0.00   0.00    -0.01  -0.03   0.02    -0.00   0.00  -0.00
    18   1     0.01  -0.04  -0.27    -0.00  -0.00  -0.01     0.00  -0.00  -0.03
    19   1    -0.06   0.18   0.84     0.03  -0.07  -0.32    -0.01   0.02   0.11
    20   1     0.12  -0.13  -0.04    -0.15   0.15   0.03     0.01  -0.02  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3026.5859              3030.4155              3036.3373
 Red. masses --      1.0693                 1.0712                 1.0634
 Frc consts  --      5.7713                 5.7957                 5.7762
 IR Inten    --      9.0982                40.8434                21.9400
 RamAct Fr= 1--     19.5240                89.1706               247.2795
  Dep-P Fr= 1--      0.7193                 0.4474                 0.0655
  Dep-U Fr= 1--      0.8368                 0.6182                 0.1230
 Alpha2 Fr= 1--      0.0103                 0.5524                 4.7068
 Beta2  Fr= 1--      2.7228                 9.1874                 5.0675
 AlphaG Fr= 1--      0.0779                 0.1949                 1.2457
 Gamma2 Fr= 1--    -13.5413               -10.5514                17.7430
 Delta2 Fr= 1--     -8.1898                 1.4664                -6.6600
 Raman1 Fr= 1--      78.096                356.682                989.118
 ROA1   Fr= 1--   -1562.038               -966.009               1490.211
 CID1   Fr= 1--     -20.002                 -2.708                  1.507
 Raman2 Fr= 1--      32.673                110.248                 60.810
 ROA2   Fr= 1--    -259.472               -264.965                479.112
 CID2   Fr= 1--      -7.941                 -2.403                  7.879
 Raman3 Fr= 1--      65.347                220.497                121.619
 ROA3   Fr= 1--   -1562.038               -966.009               1490.211
 CID3   Fr= 1--     -23.904                 -4.381                 12.253
 RC180  Fr= 1--       0.674                  0.236                 -0.754
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.01     0.03   0.00   0.00    -0.06  -0.01   0.01
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00   0.02    -0.01  -0.00  -0.04    -0.00  -0.00  -0.01
     4   6    -0.02   0.01   0.03     0.02  -0.01  -0.04     0.00  -0.00  -0.01
     5   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   1    -0.00   0.00   0.02    -0.03  -0.01   0.14     0.12   0.03  -0.50
     7   1    -0.23  -0.04  -0.14    -0.28  -0.04  -0.18     0.61   0.09   0.39
     8   1    -0.06  -0.09  -0.21     0.14   0.21   0.50     0.05   0.07   0.17
     9   1     0.02   0.06  -0.00    -0.05  -0.18   0.01    -0.02  -0.06   0.00
    10   1     0.21  -0.12  -0.32    -0.29   0.16   0.44    -0.05   0.03   0.08
    11   6     0.01  -0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    12   1    -0.02   0.02   0.03     0.01  -0.01  -0.02     0.01  -0.01  -0.01
    13   1    -0.04   0.03  -0.02     0.07  -0.06   0.04     0.00  -0.00   0.00
    14   1    -0.02  -0.04   0.02     0.04   0.09  -0.06     0.01   0.01  -0.01
    15   6    -0.01  -0.03  -0.05    -0.00  -0.02  -0.01    -0.00  -0.01  -0.03
    16   6    -0.00   0.00  -0.01    -0.01   0.01  -0.01    -0.01   0.01  -0.00
    17   1     0.08   0.28  -0.16     0.05   0.17  -0.09     0.01   0.05  -0.03
    18   1    -0.02   0.10   0.74    -0.01   0.03   0.25    -0.01   0.05   0.34
    19   1    -0.01   0.03   0.12    -0.01   0.03   0.11    -0.01   0.01   0.05
    20   1     0.05  -0.06  -0.01     0.18  -0.19  -0.03     0.09  -0.10  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3065.3812              3070.1413              3081.2224
 Red. masses --      1.0992                 1.0927                 1.0999
 Frc consts  --      6.0856                 6.0682                 6.1525
 IR Inten    --     14.3802                42.2272                27.3365
 RamAct Fr= 1--     84.3403               170.3009                84.1376
  Dep-P Fr= 1--      0.6857                 0.1553                 0.4924
  Dep-U Fr= 1--      0.8136                 0.2689                 0.6598
 Alpha2 Fr= 1--      0.0953                 2.5973                 0.4304
 Beta2  Fr= 1--     11.4361                 7.6315                 9.2530
 AlphaG Fr= 1--      0.0173                 0.2253                -0.6063
 Gamma2 Fr= 1--     71.3949               -46.4770               -37.0435
 Delta2 Fr= 1--     35.8762               -25.4288               -27.8550
 Raman1 Fr= 1--     337.361                681.203                336.550
 ROA1   Fr= 1--    8001.950              -5275.519              -4447.535
 CID1   Fr= 1--      23.719                 -7.744                -13.215
 Raman2 Fr= 1--     137.233                 91.578                111.036
 ROA2   Fr= 1--    1426.469               -912.018               -666.204
 CID2   Fr= 1--      10.394                 -9.959                 -6.000
 Raman3 Fr= 1--     274.466                183.156                222.072
 ROA3   Fr= 1--    8001.950              -5275.519              -4447.535
 CID3   Fr= 1--      29.155                -28.803                -20.027
 RC180  Fr= 1--       0.627                 -0.462                  0.320
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.05    -0.01  -0.00  -0.01    -0.01   0.00  -0.07
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.01     0.01  -0.00  -0.01    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     6   1    -0.11  -0.03   0.40    -0.03  -0.01   0.12    -0.19  -0.05   0.70
     7   1     0.29   0.04   0.17     0.11   0.02   0.07     0.32   0.05   0.18
     8   1    -0.01  -0.01  -0.03     0.01   0.01   0.04     0.00   0.01   0.02
     9   1     0.01   0.02  -0.00    -0.00  -0.00  -0.00    -0.01  -0.05   0.01
    10   1     0.05  -0.02  -0.07    -0.09   0.05   0.13    -0.00  -0.00   0.00
    11   6     0.01   0.00  -0.00    -0.01   0.00   0.01    -0.00  -0.00   0.00
    12   1    -0.03   0.02   0.04     0.08  -0.06  -0.12     0.02  -0.01  -0.02
    13   1    -0.02   0.01  -0.01     0.06  -0.05   0.03    -0.01   0.00  -0.00
    14   1    -0.02  -0.03   0.02     0.03   0.07  -0.04     0.02   0.04  -0.03
    15   6    -0.01  -0.05   0.05    -0.01  -0.03   0.01     0.01   0.03  -0.04
    16   6    -0.02   0.02   0.02     0.05  -0.05  -0.03     0.00  -0.00  -0.01
    17   1     0.17   0.61  -0.30     0.09   0.33  -0.16    -0.11  -0.41   0.20
    18   1    -0.00  -0.05  -0.25    -0.00   0.00   0.05    -0.01   0.05   0.31
    19   1     0.01  -0.03  -0.18    -0.01   0.04   0.22    -0.00   0.02   0.08
    20   1     0.22  -0.24  -0.03    -0.57   0.60   0.09     0.00  -0.01  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3087.2011              3092.6121              3105.7697
 Red. masses --      1.1013                 1.1018                 1.0951
 Frc consts  --      6.1842                 6.2090                 6.2239
 IR Inten    --     40.7741                32.2758                19.3196
 RamAct Fr= 1--     82.6447                53.5625               104.7765
  Dep-P Fr= 1--      0.4253                 0.6226                 0.4281
  Dep-U Fr= 1--      0.5968                 0.7674                 0.5995
 Alpha2 Fr= 1--      0.5578                 0.1246                 0.6999
 Beta2  Fr= 1--      8.2205                 6.8510                10.4688
 AlphaG Fr= 1--      0.4301                -0.2747                 0.2404
 Gamma2 Fr= 1--     24.5173               -14.7579                 3.8623
 Delta2 Fr= 1--     15.9545                -7.7995                 8.1679
 Raman1 Fr= 1--     330.579                214.250                419.106
 ROA1   Fr= 1--    2864.205              -1666.343                632.149
 CID1   Fr= 1--       8.664                 -7.778                  1.508
 Raman2 Fr= 1--      98.646                 82.213                125.626
 ROA2   Fr= 1--     460.779               -291.793                 27.351
 CID2   Fr= 1--       4.671                 -3.549                  0.218
 Raman3 Fr= 1--     197.291                164.425                251.252
 ROA3   Fr= 1--    2864.205              -1666.343                632.149
 CID3   Fr= 1--      14.518                -10.134                  2.516
 RC180  Fr= 1--       0.194                  0.535                  0.199
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.01   0.00     0.00   0.01   0.00    -0.03  -0.08  -0.01
     4   6    -0.01   0.01   0.01    -0.01   0.00   0.01     0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   1     0.00   0.00  -0.01     0.01   0.00  -0.04    -0.01  -0.00   0.02
     7   1    -0.01  -0.00  -0.01    -0.02  -0.00  -0.01     0.00   0.00   0.00
     8   1    -0.00  -0.00  -0.00    -0.01  -0.02  -0.05     0.07   0.09   0.24
     9   1     0.02   0.08  -0.01    -0.03  -0.11   0.01     0.25   0.91  -0.11
    10   1     0.09  -0.05  -0.13     0.06  -0.03  -0.10    -0.01   0.00   0.01
    11   6    -0.07   0.05   0.02    -0.02  -0.06   0.07     0.00  -0.01   0.01
    12   1     0.32  -0.23  -0.50     0.20  -0.15  -0.28    -0.00   0.00   0.01
    13   1     0.54  -0.40   0.27    -0.27   0.18  -0.11    -0.07   0.05  -0.03
    14   1    -0.02  -0.00   0.02     0.33   0.64  -0.42     0.05   0.09  -0.06
    15   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6    -0.01   0.01   0.00    -0.00   0.01   0.01    -0.00   0.00  -0.00
    17   1    -0.01  -0.02   0.01     0.00   0.02  -0.01    -0.01  -0.02   0.01
    18   1    -0.00  -0.00  -0.01    -0.00  -0.01  -0.04    -0.00   0.00   0.02
    19   1     0.00  -0.01  -0.05     0.00  -0.01  -0.06    -0.00   0.00   0.01
    20   1     0.09  -0.10  -0.01     0.05  -0.05  -0.01     0.01  -0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   112.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   678.37843 902.345921330.83938
           X            0.98846   0.15085   0.01372
           Y           -0.15068   0.98850  -0.01295
           Z           -0.01552   0.01074   0.99982
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.12768     0.09599     0.06508
 Rotational constants (GHZ):           2.66038     2.00005     1.35609
 Zero-point vibrational energy     468544.6 (Joules/Mol)
                                  111.98485 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     85.29   105.50   364.93   398.71   486.32
          (Kelvin)            546.45   589.51   669.60   697.22   750.40
                              890.15  1040.23  1152.60  1191.80  1270.77
                             1312.37  1381.39  1404.89  1423.46  1479.74
                             1529.59  1603.34  1642.96  1661.53  1722.77
                             1782.02  1801.96  1836.83  1881.26  1933.52
                             1937.31  1976.11  1981.25  1996.59  2039.58
                             2085.85  2120.49  2153.18  2157.22  2163.36
                             2168.57  2569.71  4324.10  4338.57  4352.92
                             4354.58  4360.09  4368.61  4410.40  4417.25
                             4433.19  4441.79  4449.58  4468.51
 
 Zero-point correction=                           0.178459 (Hartree/Particle)
 Thermal correction to Energy=                    0.186435
 Thermal correction to Enthalpy=                  0.187379
 Thermal correction to Gibbs Free Energy=         0.145731
 Sum of electronic and zero-point Energies=           -349.188706
 Sum of electronic and thermal Energies=              -349.180730
 Sum of electronic and thermal Enthalpies=            -349.179786
 Sum of electronic and thermal Free Energies=         -349.221434
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  116.990             30.473             87.657
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.058
 Rotational               0.889              2.981             28.190
 Vibrational            115.212             24.511             19.409
 Vibration     1          0.597              1.974              4.481
 Vibration     2          0.599              1.967              4.062
 Vibration     3          0.665              1.757              1.705
 Vibration     4          0.678              1.716              1.551
 Vibration     5          0.718              1.600              1.222
 Vibration     6          0.750              1.513              1.040
 Vibration     7          0.774              1.449              0.928
 Vibration     8          0.823              1.327              0.751
 Vibration     9          0.841              1.284              0.698
 Vibration    10          0.877              1.202              0.606
 Vibration    11          0.979              0.992              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.930314D-67        -67.031370       -154.345434
 Total V=0       0.113266D+16         15.054100         34.663346
 Vib (Bot)       0.617307D-80        -80.209499       -184.689196
 Vib (Bot)    1  0.348374D+01          0.542045          1.248105
 Vib (Bot)    2  0.281132D+01          0.448911          1.033655
 Vib (Bot)    3  0.768156D+00         -0.114550         -0.263762
 Vib (Bot)    4  0.694836D+00         -0.158118         -0.364080
 Vib (Bot)    5  0.550044D+00         -0.259602         -0.597756
 Vib (Bot)    6  0.476122D+00         -0.322282         -0.742081
 Vib (Bot)    7  0.431885D+00         -0.364632         -0.839595
 Vib (Bot)    8  0.363831D+00         -0.439100         -1.011066
 Vib (Bot)    9  0.343763D+00         -0.463740         -1.067801
 Vib (Bot)   10  0.309044D+00         -0.509979         -1.174271
 Vib (Bot)   11  0.236700D+00         -0.625802         -1.440962
 Vib (V=0)       0.751574D+02          1.875971          4.319584
 Vib (V=0)    1  0.401943D+01          0.604165          1.391141
 Vib (V=0)    2  0.335544D+01          0.525749          1.210583
 Vib (V=0)    3  0.141655D+01          0.151232          0.348225
 Vib (V=0)    4  0.135604D+01          0.132271          0.304565
 Vib (V=0)    5  0.124334D+01          0.094589          0.217798
 Vib (V=0)    6  0.119043D+01          0.075704          0.174314
 Vib (V=0)    7  0.116070D+01          0.064720          0.149024
 Vib (V=0)    8  0.111836D+01          0.048583          0.111866
 Vib (V=0)    9  0.110677D+01          0.044059          0.101448
 Vib (V=0)   10  0.108780D+01          0.036549          0.084157
 Vib (V=0)   11  0.105320D+01          0.022510          0.051830
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.466442D+08          7.668797         17.658058
 Rotational      0.323096D+06          5.509331         12.685703
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000016844    0.000005898    0.000004866
      2        6          -0.000000036    0.000001398   -0.000010882
      3        6           0.000000250   -0.000002561    0.000005529
      4        6          -0.000036233   -0.000059044   -0.000016926
      5        8           0.000000691    0.000000047    0.000001307
      6        1          -0.000000040    0.000000651   -0.000001084
      7        1           0.000000037    0.000001167    0.000000078
      8        1           0.000000274   -0.000002509    0.000008812
      9        1          -0.000000328   -0.000000156    0.000002489
     10        1          -0.000002437    0.000000566    0.000001887
     11        6           0.000000313    0.000003831   -0.000002790
     12        1           0.000004578    0.000000952    0.000003705
     13        1           0.000006399    0.000003417    0.000001856
     14        1           0.000002597    0.000000364    0.000002843
     15        6          -0.000001607   -0.000020678    0.000012305
     16        6           0.000047498    0.000072353    0.000001197
     17        1          -0.000000488    0.000000738   -0.000000758
     18        1          -0.000006807   -0.000010457   -0.000006430
     19        1           0.000002656    0.000003783   -0.000006851
     20        1          -0.000000474    0.000000241   -0.000001152
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000072353 RMS     0.000015363
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.918800D+02  0.369233D+00 -0.204294D+01
      2   0.369233D+00  0.905324D+02  0.696500D+00
      3  -0.204294D+01  0.696500D+00  0.754543D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.404926D+01  0.264917D+01 -0.757097D+01
      2  -0.144051D+02  0.505948D+01 -0.135369D+02
      3   0.152817D+02  0.819119D+01  0.133350D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.418254D+02 -0.200288D+02 -0.203754D+02
      2   0.251568D+02  0.265143D+02  0.279602D+01
      3   0.166686D+02 -0.648545D+01  0.175794D+02
      4   0.587268D+01 -0.507016D+01  0.137722D+02
      5  -0.179155D+02  0.957432D+01 -0.247827D+02
      6   0.986803D+01 -0.436097D+01  0.155242D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.528560D+01 -0.239202D+01 -0.166805D+01 -0.946682D+00  0.256800D+01
      2  -0.239202D+01 -0.238848D+00 -0.303226D+00  0.256800D+01  0.240675D+01
      3  -0.166805D+01 -0.303226D+00 -0.269650D+01 -0.480131D+00 -0.181725D+01
                 6             7             8             9            10 
      1  -0.480131D+00 -0.246417D+01 -0.494128D+00 -0.360111D+01  0.753275D+00
      2  -0.181725D+01 -0.494128D+00 -0.110446D+01 -0.779619D+00  0.295548D+01
      3  -0.135665D+00 -0.360111D+01 -0.779619D+00  0.495743D+01  0.140920D-01
                11            12            13            14            15 
      1   0.295548D+01  0.140920D-01  0.192671D+01 -0.451169D+01 -0.901927D+00
      2  -0.405182D+01 -0.142454D+01 -0.451169D+01 -0.136546D+00  0.353907D+01
      3  -0.142454D+01  0.131793D+01 -0.901927D+00  0.353907D+01  0.102939D+01
                16            17            18            19            20 
      1   0.141349D+01 -0.200645D+01  0.718595D+00  0.213729D+01 -0.277664D+01
      2  -0.200645D+01  0.336882D+01  0.161145D+01 -0.277664D+01  0.349559D+01
      3   0.718595D+00  0.161145D+01 -0.402080D+00  0.147166D+01 -0.743406D+00
                21            22            23            24            25 
      1   0.147166D+01 -0.346401D+01  0.327322D+01 -0.110244D+01  0.666654D+00
      2  -0.743406D+00  0.327322D+01  0.591486D+01 -0.225091D+01 -0.711448D+00
      3  -0.207874D+01 -0.110244D+01 -0.225091D+01 -0.196396D+01 -0.141320D+01
                26            27            28            29            30 
      1  -0.711448D+00 -0.141320D+01 -0.254767D+01  0.253903D+01 -0.139354D+01
      2  -0.128548D+01 -0.187622D+01  0.253903D+01 -0.189348D+01  0.303415D+01
      3  -0.187622D+01 -0.375307D+01 -0.139354D+01  0.303415D+01  0.268297D+01
                31            32            33            34            35 
      1   0.411417D+01 -0.216003D+01  0.273335D+01 -0.188696D+01  0.384856D+01
      2  -0.216003D+01 -0.264880D+01  0.909233D+00  0.384856D+01  0.171220D+01
      3   0.273335D+01  0.909233D+00 -0.643208D+00  0.300301D+01 -0.115269D+01
                36            37            38            39            40 
      1   0.300301D+01  0.511465D+01 -0.442425D+01 -0.153474D+01 -0.438605D+01
      2  -0.115269D+01 -0.442425D+01  0.400538D+01  0.814585D+00  0.523818D+01
      3  -0.420287D+01 -0.153474D+01  0.814585D+00  0.636652D+00  0.121959D+01
                41            42            43            44            45 
      1   0.523818D+01  0.121959D+01 -0.233252D+01  0.163811D+01  0.192917D+01
      2  -0.102063D+02 -0.318291D+01  0.163811D+01 -0.334886D+01 -0.377462D+01
      3  -0.318291D+01 -0.210610D+01  0.192917D+01 -0.377462D+01 -0.271394D+01
                46            47            48            49            50 
      1   0.213094D+01  0.756046D+00 -0.148383D+01  0.228615D+00  0.211491D+00
      2   0.756046D+00  0.630121D+00 -0.253080D+00  0.211491D+00  0.112589D+00
      3  -0.148383D+01 -0.253080D+00  0.148480D+01  0.116916D+00 -0.858461D+00
                51            52            53            54            55 
      1   0.116916D+00 -0.257674D+01 -0.233050D+00  0.307086D+01  0.889213D+01
      2  -0.858461D+00 -0.233050D+00 -0.174843D+01  0.108193D+01  0.203624D+01
      3   0.323954D+00  0.307086D+01  0.108193D+01 -0.708304D+01  0.230892D+01
                56            57            58            59            60 
      1   0.203624D+01  0.230892D+01  0.698143D+00  0.960998D+00  0.293832D+00
      2   0.183056D+01  0.405268D+00  0.960998D+00  0.867081D+00  0.817925D+00
      3   0.405268D+00  0.176057D+01  0.293832D+00  0.817925D+00  0.307107D+00
                61            62            63            64            65 
      1   0.390479D+01  0.676788D+00  0.244330D+01  0.433002D+00  0.645849D+00
      2   0.676788D+00  0.148300D+01  0.848676D+00  0.645849D+00 -0.282963D-01
      3   0.244330D+01  0.848676D+00  0.140825D+01  0.105808D+01  0.155885D+00
                66            67            68            69            70 
      1   0.105808D+01  0.165043D+01 -0.252739D+00  0.106053D+00  0.143868D+01
      2   0.155885D+00 -0.252739D+00  0.718882D+00  0.132250D+01  0.233442D+00
      3   0.194122D+01  0.106053D+00  0.132250D+01  0.186617D+01  0.102936D+01
                71            72            73            74            75 
      1   0.233442D+00  0.102936D+01 -0.109781D+01 -0.110268D+01  0.771497D-01
      2   0.124759D+01  0.899238D+00 -0.110268D+01 -0.138500D+01  0.470368D+00
      3   0.899238D+00  0.835661D+01  0.771497D-01  0.470368D+00 -0.233906D+00
                76            77            78            79            80 
      1  -0.172897D+01 -0.152765D+01  0.403382D+00 -0.256758D-01  0.218404D+00
      2  -0.152765D+01 -0.834235D+01  0.240736D+01  0.218404D+00  0.817084D+00
      3   0.403382D+00  0.240736D+01 -0.164813D+01 -0.128859D+00 -0.116256D+01
                81            82            83            84            85 
      1  -0.128859D+00 -0.360651D+01  0.426699D+00  0.250443D+01  0.790487D+00
      2  -0.116256D+01  0.426699D+00 -0.837930D+00 -0.102687D+01 -0.796459D+00
      3   0.140230D+01  0.250443D+01 -0.102687D+01 -0.302836D+01 -0.109297D+01
                86            87            88            89            90 
      1  -0.796459D+00 -0.109297D+01  0.321681D+01 -0.105078D+01 -0.306078D+01
      2   0.145626D+01  0.122938D+01 -0.105078D+01  0.125887D+01  0.122967D+01
      3   0.122938D+01  0.158091D+01 -0.306078D+01  0.122967D+01  0.596810D+01
                91            92            93            94            95 
      1   0.340609D+01 -0.188342D+01  0.131191D+01 -0.335122D+01  0.284427D+01
      2  -0.188342D+01  0.190992D+01 -0.381362D+01  0.284427D+01  0.306489D+01
      3   0.131191D+01 -0.381362D+01 -0.143275D+01 -0.447105D+01 -0.127056D+01
                96            97            98            99           100 
      1  -0.447105D+01  0.588958D+00 -0.460937D+01 -0.958314D+00  0.144684D+01
      2  -0.127056D+01 -0.460937D+01 -0.211434D+01  0.170853D+01 -0.148592D+00
      3   0.100284D+01 -0.958314D+00  0.170853D+01  0.276051D+01 -0.100630D+01
               101           102           103           104           105 
      1  -0.148592D+00 -0.100630D+01 -0.442424D+00 -0.916242D-02  0.602209D+00
      2   0.993733D+00  0.114120D+01 -0.916242D-02 -0.192554D+01 -0.131360D+01
      3   0.114120D+01  0.214163D+01  0.602209D+00 -0.131360D+01 -0.166211D+01
               106           107           108           109           110 
      1  -0.160025D+01  0.478997D+00  0.590202D+00 -0.739549D+01  0.164551D+01
      2   0.478997D+00 -0.159801D+01 -0.198811D+01  0.164551D+01 -0.173125D+01
      3   0.590202D+00 -0.198811D+01 -0.504785D+01 -0.247580D+01  0.926510D+00
               111           112           113           114           115 
      1  -0.247580D+01  0.401874D+01 -0.185924D+01  0.171384D+01 -0.231488D+01
      2   0.926510D+00 -0.185924D+01  0.168705D+01 -0.662643D+00  0.976271D+00
      3  -0.153614D+01  0.171384D+01 -0.662643D+00  0.117964D+01 -0.196476D+01
               116           117           118           119           120 
      1   0.976271D+00 -0.196476D+01 -0.322264D+01 -0.207734D+01  0.689103D+00
      2  -0.486229D+00  0.464671D+00 -0.207734D+01 -0.234909D+01  0.974671D+00
      3   0.464671D+00 -0.192370D+01  0.689103D+00  0.974671D+00 -0.660525D+00
               121           122           123           124           125 
      1  -0.271939D+01 -0.340810D+01  0.106159D+01  0.201163D+01  0.184685D+01
      2  -0.340810D+01 -0.598458D+01  0.149395D+01  0.184685D+01  0.268746D+01
      3   0.106159D+01  0.149395D+01 -0.153406D+01 -0.858256D+00 -0.165262D+01
               126           127           128           129           130 
      1  -0.858256D+00  0.211162D+01  0.201740D+01  0.160844D+01  0.235761D+01
      2  -0.165262D+01  0.201740D+01 -0.258187D+01  0.608499D+00 -0.324638D+01
      3   0.150395D+01  0.160844D+01  0.608499D+00  0.337090D-01  0.737349D+00
               131           132           133           134           135 
      1  -0.324638D+01  0.737349D+00  0.164304D+01  0.922245D+00 -0.290405D-01
      2  -0.500940D+01  0.209216D+01  0.922245D+00  0.342223D+01 -0.272651D+01
      3   0.209216D+01 -0.161094D+01 -0.290405D-01 -0.272651D+01 -0.652134D+01
               136           137           138           139           140 
      1   0.435716D+00 -0.387589D+01 -0.665188D+00 -0.386570D+01  0.412865D+01
      2  -0.387589D+01  0.387275D+01 -0.111416D+01  0.412865D+01  0.307199D+00
      3  -0.665188D+00 -0.111416D+01 -0.150748D+00 -0.948883D+00 -0.986320D+00
               141           142           143           144           145 
      1  -0.948883D+00 -0.110262D+01 -0.697912D+00 -0.198858D+00  0.115354D+01
      2  -0.986320D+00 -0.697912D+00 -0.234566D+01  0.146937D+01  0.163340D+01
      3   0.177712D+01 -0.198858D+00  0.146937D+01  0.655270D+01 -0.718912D+00
               146           147           148           149           150 
      1   0.163340D+01 -0.718912D+00  0.169636D+01  0.236629D+01 -0.389241D+00
      2   0.217126D+01 -0.387888D+00  0.236629D+01  0.106029D+02 -0.184728D+01
      3  -0.387888D+00  0.242045D+00 -0.389241D+00 -0.184728D+01  0.136240D+01
               151           152           153           154           155 
      1  -0.110179D+01 -0.761944D+00  0.475799D+00 -0.261640D+00  0.106664D+00
      2  -0.761944D+00 -0.341689D+01  0.205444D+01  0.106664D+00  0.220719D+00
      3   0.475799D+00  0.205444D+01 -0.597643D+00  0.826861D+00 -0.100896D+00
               156           157           158           159           160 
      1   0.826861D+00  0.609173D-01  0.403307D+00  0.197109D-01  0.160049D+01
      2  -0.100896D+00  0.403307D+00  0.181130D+01  0.135693D+01  0.120007D+00
      3  -0.881101D-01  0.197109D-01  0.135693D+01  0.132007D+01  0.449983D+00
               161           162           163           164           165 
      1   0.120007D+00  0.449983D+00  0.399974D+00  0.431983D+00 -0.777033D+00
      2   0.214375D+01  0.272202D+01  0.431983D+00 -0.196911D+00  0.162470D+00
      3   0.272202D+01  0.769540D+01 -0.777033D+00  0.162470D+00  0.367226D+00
               166           167           168           169           170 
      1  -0.177266D+00 -0.559614D+00  0.211122D-01 -0.172479D+01 -0.312148D+00
      2  -0.559614D+00 -0.449422D+00 -0.830547D+00 -0.312148D+00 -0.140147D+01
      3   0.211122D-01 -0.830547D+00 -0.102880D+01 -0.706283D+00  0.260062D+00
               171           172           173           174           175 
      1  -0.706283D+00 -0.499771D+01  0.348653D+01 -0.147234D+00  0.353953D+01
      2   0.260062D+00  0.348653D+01 -0.383552D+01  0.474083D+00 -0.366335D+01
      3  -0.784572D+01 -0.147234D+00  0.474083D+00 -0.702986D+00  0.357714D+00
               176           177           178           179           180 
      1  -0.366335D+01  0.357714D+00  0.645852D+00 -0.824513D-01 -0.790810D+00
      2   0.575325D+01 -0.148018D+00 -0.824513D-01  0.708820D+00  0.762892D+00
      3  -0.148018D+00  0.583362D+00 -0.790810D+00  0.762892D+00 -0.513990D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.175758D+01  0.516598D+00  0.725358D+00 -0.993265D+00 -0.382860D+00
      2  -0.631807D+01 -0.124637D+01 -0.651160D+01  0.103862D+01 -0.261923D+01
      3   0.483890D+01 -0.866090D+01 -0.360131D+01 -0.422586D+01 -0.275132D+01
                 6             7             8             9            10 
      1  -0.375986D+01  0.143470D+01  0.516182D+01 -0.347969D+01  0.418164D+01
      2   0.176501D+01 -0.131942D+02 -0.358441D+01  0.940188D+01 -0.150997D+02
      3   0.519172D+01 -0.505757D+01  0.205119D+01  0.167392D-01 -0.528472D+01
                11            12            13            14            15 
      1   0.386097D+01 -0.254122D+01  0.418877D+01 -0.135553D+01  0.731891D+01
      2  -0.723884D+01  0.378146D+01 -0.557272D+01  0.745197D+01 -0.202346D+01
      3  -0.630213D+01  0.310946D+01  0.294953D+00  0.299238D+01 -0.861326D+01
                16            17            18            19            20 
      1  -0.567093D+00  0.141149D+02  0.131616D+01 -0.463432D+01  0.246071D+01
      2  -0.125845D+02 -0.394145D+01  0.970851D+01 -0.461725D+01  0.657289D+01
      3  -0.216321D+01 -0.972120D+01  0.428783D+00  0.176967D+01  0.108180D+01
                21            22            23            24            25 
      1  -0.410822D+01  0.271260D+01  0.459686D+01 -0.830514D+01 -0.410517D+01
      2   0.269501D+01  0.804329D+01 -0.529807D+01  0.441843D+01 -0.942488D+01
      3  -0.220640D+01  0.672579D+01 -0.684543D+01  0.265944D+01 -0.271932D+01
                26            27            28            29            30 
      1  -0.294357D+01 -0.680800D+01  0.361051D+01 -0.112370D+01 -0.592359D-01
      2   0.521128D+01  0.809108D+00  0.932684D+01 -0.832956D+01  0.915360D+00
      3   0.333948D+01  0.154915D+01  0.441359D+01 -0.713480D+01  0.693966D+01
                31            32            33            34            35 
      1  -0.198156D+01  0.139098D+01 -0.143922D+01  0.163625D+01  0.590275D+01
      2  -0.132037D+02 -0.108173D+01  0.205877D+01 -0.909867D+00 -0.123445D+01
      3  -0.383701D+00 -0.475444D+01  0.220963D+01  0.953299D+01  0.195125D+01
                36            37            38            39            40 
      1   0.796718D+00 -0.327991D+01 -0.180356D+01  0.422862D+01  0.139236D+01
      2   0.316822D+01  0.100460D+01  0.401443D+01  0.469182D+01  0.417271D+01
      3  -0.318355D+01 -0.846980D+00 -0.323819D+01 -0.457864D+00  0.749542D+01
                41            42            43            44            45 
      1  -0.300458D+00 -0.102413D+02  0.179205D+01 -0.259401D+01 -0.452194D+01
      2  -0.747758D+01 -0.491275D+01  0.397300D+01 -0.209972D+01 -0.825566D+01
      3   0.118972D+02  0.301206D+01  0.473749D+01  0.603785D+01  0.240394D+01
                46            47            48            49            50 
      1   0.121534D+01  0.381589D+00 -0.116150D+01  0.445345D+00 -0.819763D+00
      2  -0.259089D+01 -0.110841D+01  0.425101D+01  0.875332D-01 -0.675150D+00
      3  -0.179894D+00 -0.155363D+01 -0.512065D+00  0.177571D+01  0.108898D+01
                51            52            53            54            55 
      1  -0.957000D+00 -0.270939D+01  0.152019D+01  0.559969D+01 -0.319356D+01
      2   0.875245D-01  0.475328D+01  0.365879D+01 -0.158183D+02  0.979985D+01
      3   0.907252D+00 -0.559136D+00  0.455229D+01 -0.483831D+00  0.574435D+01
                56            57            58            59            60 
      1  -0.984457D+00 -0.157005D+01  0.389637D+00  0.849150D+00 -0.103491D+01
      2   0.260581D+01  0.617604D+01  0.157150D+00  0.101494D+01  0.560974D+00
      3  -0.299882D+01  0.137292D+01  0.458388D+00 -0.132795D+01 -0.177585D+01
                61            62            63            64            65 
      1  -0.268296D+01 -0.606340D-01 -0.117309D+01  0.128290D+01  0.123896D+01
      2   0.654327D+01  0.318685D+01  0.396449D+01  0.560290D+00 -0.134775D+01
      3   0.354819D+01 -0.309623D+01  0.745143D+00  0.125228D+00 -0.233446D+01
                66            67            68            69            70 
      1   0.324186D+01 -0.527276D+00  0.355211D+01  0.352304D+01  0.197071D+01
      2  -0.268264D+01 -0.154680D+01 -0.150599D+00 -0.129670D+01 -0.319076D+01
      3  -0.151033D+01 -0.125362D+00  0.128169D+00 -0.706123D+00 -0.100187D+01
                71            72            73            74            75 
      1   0.521062D+01  0.951035D+01 -0.120537D+01 -0.209556D+01 -0.170165D+00
      2  -0.739625D+00 -0.413282D+01  0.844876D+00  0.121510D+01  0.140736D+01
      3  -0.691981D+00 -0.226487D+01  0.117829D+01 -0.616043D+00  0.903010D+00
                76            77            78            79            80 
      1  -0.169054D+01 -0.766458D+01 -0.156851D+01  0.772011D+00  0.119043D+01
      2   0.311358D+01  0.141284D+01 -0.919929D-01 -0.128594D+01 -0.247814D+00
      3   0.563112D+01  0.873060D+00 -0.239963D+00  0.417635D+00  0.384840D+00
                81            82            83            84            85 
      1  -0.680522D-01 -0.982242D-01 -0.140752D+01 -0.108123D-01 -0.260573D-01
      2  -0.716405D-01 -0.147407D+00  0.116141D+01  0.369874D+01  0.431059D-02
      3   0.135895D+00  0.307617D+00 -0.314158D+01 -0.193641D+01 -0.221671D+00
                86            87            88            89            90 
      1   0.103951D+01 -0.768956D+00  0.269381D+00  0.238263D+01 -0.474106D+00
      2  -0.159612D+00 -0.786444D+00 -0.271944D+01 -0.187108D+00 -0.591612D+01
      3   0.350033D+01  0.204050D+01 -0.241365D+01  0.331330D+01  0.236111D+01
                91            92            93            94            95 
      1   0.177960D+01 -0.618433D+01  0.186568D+01 -0.839896D+01 -0.437314D+01
      2  -0.235874D+01  0.111530D+02  0.782471D+01  0.131613D+02  0.490869D+01
      3  -0.936166D+01  0.418633D+01 -0.126117D+02  0.130850D+02  0.556348D+01
                96            97            98            99           100 
      1   0.908251D-01  0.314761D+01  0.474864D+01  0.167548D+01 -0.778028D+00
      2  -0.635648D+01  0.503455D-01 -0.710944D+01 -0.809334D+01  0.553616D+01
      3   0.125839D+01 -0.132814D+02 -0.755308D+00  0.488408D+01 -0.304929D+01
               101           102           103           104           105 
      1  -0.485971D+00  0.174781D+01  0.549005D+00  0.435096D+00 -0.212463D+01
      2  -0.297517D+01 -0.544416D+01 -0.288909D+01  0.352387D+01  0.481482D+01
      3   0.186631D+01  0.392236D+01  0.216801D+01 -0.436393D+01 -0.407265D+01
               106           107           108           109           110 
      1   0.630405D+00  0.118093D+01 -0.435592D+01 -0.361169D+01  0.290974D+01
      2  -0.559319D+01  0.531303D+01  0.130425D+02  0.202432D+01 -0.131523D+01
      3   0.392922D+01 -0.427432D+01 -0.616038D+01  0.954278D+01 -0.842028D+01
               111           112           113           114           115 
      1  -0.153945D+01  0.234680D+01 -0.226420D+01  0.256454D+00 -0.240188D+01
      2   0.508993D+01 -0.272779D+01  0.870616D+00 -0.301488D+01  0.175532D+01
      3   0.470332D+01 -0.622667D+01  0.713492D+01 -0.268922D+01  0.470670D+01
               116           117           118           119           120 
      1   0.204531D+01 -0.155833D+01  0.190158D+01  0.254363D+01 -0.203841D+01
      2  -0.649124D+00  0.484661D+01 -0.235040D+01 -0.353162D+01  0.305727D+01
      3  -0.297222D+01  0.266314D+01 -0.196240D+01 -0.576885D+01  0.209153D+01
               121           122           123           124           125 
      1   0.301943D+01  0.456039D+01 -0.503984D+01 -0.159251D+01 -0.205634D+01
      2  -0.350173D+01 -0.505123D+01  0.553437D+01  0.113552D+01  0.452536D+01
      3  -0.356524D+01 -0.131468D+02  0.311313D+01  0.191077D+01  0.568477D+01
               126           127           128           129           130 
      1   0.336967D+01 -0.249525D+01 -0.328386D+01 -0.157867D+00 -0.282477D+01
      2  -0.464993D+01  0.167379D+01  0.287073D+01  0.201578D+01  0.884791D+00
      3  -0.360141D+01  0.457557D+01  0.683395D+01  0.322517D+01  0.124842D+02
               131           132           133           134           135 
      1  -0.834861D+01  0.239370D+01  0.120841D+01  0.108483D+02  0.137914D+02
      2   0.276053D+01 -0.680451D+00 -0.426994D+01 -0.179692D+01 -0.391962D+01
      3  -0.546763D+01 -0.616002D+00  0.278684D+01 -0.150405D+01  0.905939D+00
               136           137           138           139           140 
      1   0.380598D+01  0.192795D+00  0.122181D+01 -0.811262D+00  0.419653D+01
      2   0.184381D+01 -0.234623D+01  0.226895D+01 -0.183971D+01  0.389333D+01
      3  -0.825804D+01 -0.667653D+01 -0.346084D+01 -0.230217D+00  0.897694D+01
               141           142           143           144           145 
      1  -0.521855D+01  0.530963D+00  0.126963D+01 -0.111390D+02  0.194050D+01
      2  -0.240007D+01 -0.277083D+01 -0.270426D+01 -0.517117D+01 -0.268123D+00
      3  -0.215579D+01 -0.314750D+01 -0.368875D+01  0.191499D+01  0.191023D+01
               146           147           148           149           150 
      1   0.179043D+01 -0.130713D+01  0.147482D+01  0.651468D+01 -0.613968D+01
      2  -0.115307D+01  0.107530D+01 -0.387078D-01 -0.228546D+01  0.155692D+01
      3   0.126168D+00 -0.128953D+01  0.526594D+01 -0.263963D+01  0.284456D+00
               151           152           153           154           155 
      1  -0.109013D+01 -0.434898D+01  0.201154D+01 -0.193641D+01  0.172160D+00
      2  -0.945793D+00  0.152466D+01 -0.385299D+00  0.549162D+00 -0.673613D-01
      3  -0.336026D+01  0.109216D+01 -0.238278D+00 -0.113490D+01 -0.142505D+01
               156           157           158           159           160 
      1   0.511001D+00  0.194602D+00 -0.184322D+01 -0.312047D+01 -0.555402D+00
      2   0.792418D+00 -0.453484D+00  0.601983D+00  0.980109D+00 -0.286498D+01
      3   0.177231D+01  0.218231D+00  0.311399D-02 -0.680424D+00  0.427357D+01
               161           162           163           164           165 
      1  -0.166808D+01 -0.166693D+02  0.126923D+01 -0.441878D-01 -0.898081D+00
      2   0.150500D+01  0.514298D+01  0.129847D+01  0.154106D+00  0.124157D+00
      3  -0.110163D+01 -0.591726D+00  0.115863D+01 -0.183356D+00 -0.126474D+01
               166           167           168           169           170 
      1   0.750486D+00  0.208605D+01  0.114998D+01  0.101842D+01  0.376627D+01
      2  -0.723073D+00 -0.110872D+00  0.129096D+01 -0.409940D+01 -0.293628D+00
      3   0.399267D+00 -0.165487D+01 -0.698666D+00 -0.323153D+01 -0.161739D+01
               171           172           173           174           175 
      1   0.119091D+02 -0.151209D+01  0.134555D+01  0.202000D+01  0.811605D+00
      2   0.722700D+01 -0.173336D+01  0.125942D+01  0.250130D+01  0.183344D+01
      3  -0.800452D+00 -0.567117D+01 -0.907577D+00  0.463831D+00  0.491780D+01
               176           177           178           179           180 
      1  -0.221631D+01 -0.274304D+01  0.147780D+01 -0.403124D+00  0.614856D+00
      2  -0.152926D+01 -0.150467D+01 -0.298123D+00 -0.521737D+00  0.124538D+00
      3   0.978170D+00  0.549450D+00  0.109204D+01  0.101595D+01 -0.684412D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.236979D+02 -0.140878D+02 -0.958666D+01 -0.784958D+00  0.165729D+01
      2   0.153530D+02  0.132851D+02  0.213797D+01  0.335964D+01  0.640606D+01
      3   0.834491D+01  0.802720D+00  0.744869D+01 -0.257469D+01 -0.806336D+01
      4  -0.143947D+02 -0.760015D+01 -0.577603D+01  0.402980D+01  0.666844D+01
      5  -0.115529D+02 -0.288106D+01 -0.124885D+02 -0.560530D+00 -0.300491D+01
      6  -0.336919D+01  0.583268D-01 -0.163162D+01 -0.289893D+00 -0.973843D+00
                 6             7             8             9            10 
      1  -0.165700D+01 -0.130523D+02 -0.458420D+01 -0.103551D+02  0.947009D+00
      2   0.679869D+00  0.222835D+01 -0.227165D+01  0.169495D+02 -0.884566D+01
      3   0.977127D+00  0.108240D+02  0.685585D+01 -0.659444D+01  0.789865D+01
      4  -0.485887D+01 -0.944716D+01 -0.381502D+01 -0.850818D+01  0.136572D+02
      5  -0.162489D+00 -0.167601D+02 -0.504957D+01  0.168305D+02  0.530404D+01
      6   0.118633D+01 -0.569694D+01 -0.842875D+00  0.105112D+02 -0.147204D+01
                11            12            13            14            15 
      1  -0.126738D+01 -0.463032D+01 -0.103753D+01 -0.132897D+01  0.204974D+01
      2   0.974992D+01  0.115255D+00  0.654820D+01 -0.136733D+02 -0.409386D+01
      3  -0.848254D+01  0.451506D+01 -0.551067D+01  0.150023D+02  0.204412D+01
      4  -0.162142D+02 -0.270134D+01 -0.260084D+02  0.206691D+02  0.981076D+01
      5  -0.179173D+01  0.414160D+00 -0.613581D+01  0.558229D+01  0.483333D+01
      6   0.597765D+01  0.973814D+00  0.247597D+01 -0.132570D+02 -0.993812D+01
                16            17            18            19            20 
      1   0.459036D+01  0.373206D+00  0.381375D+01 -0.485737D+01  0.503102D+01
      2   0.107379D+01 -0.940685D+01 -0.922661D+01  0.287603D+01 -0.428829D+01
      3  -0.566415D+01  0.903364D+01  0.541286D+01  0.198134D+01 -0.742726D+00
      4  -0.112711D+02  0.171979D+02  0.578418D+01 -0.679949D+01  0.549557D+01
      5   0.431931D+01  0.160521D+01  0.732542D+01 -0.616935D+01  0.215150D+01
      6   0.995848D+00 -0.317203D+01 -0.485202D+01 -0.247340D+01  0.205001D+01
                21            22            23            24            25 
      1   0.516844D+01  0.959798D+01  0.142007D+02  0.539925D+01  0.245726D+00
      2   0.537162D+01 -0.888079D+01 -0.192828D+02  0.995881D+01  0.292878D+01
      3  -0.105401D+02 -0.717194D+00  0.508203D+01 -0.153581D+02 -0.317450D+01
      4   0.977223D+00  0.628603D+01 -0.686700D+01  0.325417D+00  0.265667D+01
      5   0.261943D+01  0.386396D+01  0.231622D+01 -0.286223D+01  0.293200D+01
      6   0.124045D+01  0.303049D+01  0.131206D+02  0.257158D+00 -0.478679D+00
                26            27            28            29            30 
      1   0.504215D+01  0.123355D+02 -0.557633D+00 -0.558336D+01  0.566865D+01
      2   0.635216D+01  0.988663D+01  0.234191D+01 -0.402898D+00 -0.491989D+01
      3  -0.113943D+02 -0.222221D+02 -0.178428D+01  0.598626D+01 -0.748767D+00
      4  -0.997810D+00 -0.326642D+01 -0.404120D+00 -0.172588D+01 -0.969867D+01
      5  -0.240005D+01 -0.879351D+01  0.912023D+01 -0.108228D+02 -0.156856D+02
      6   0.243363D+01  0.135041D+01 -0.526443D+01 -0.337388D+01  0.158421D+01
                31            32            33            34            35 
      1  -0.813153D+01  0.298879D+01 -0.120237D+02  0.576432D+00 -0.112327D+02
      2   0.212473D+01 -0.701711D-01  0.527739D+01 -0.509932D+01  0.586355D+01
      3   0.600679D+01 -0.291862D+01  0.674632D+01  0.452289D+01  0.536919D+01
      4  -0.644872D+01  0.648245D+01 -0.103650D+01 -0.934181D+01 -0.512904D+01
      5  -0.163571D+02 -0.188934D+01  0.566677D+01 -0.141096D+02  0.489393D+01
      6  -0.134075D+01 -0.230582D+01 -0.463944D+01  0.161169D+01 -0.181693D+01
                36            37            38            39            40 
      1  -0.116957D+02  0.198907D+02 -0.670846D+01 -0.263683D+01 -0.488533D+01
      2   0.816287D+01  0.599921D-01 -0.784884D+01  0.146588D+01 -0.106360D+02
      3   0.353281D+01 -0.199507D+02  0.145573D+02  0.117095D+01  0.155214D+02
      4   0.405451D+01 -0.303298D+02  0.312244D+02  0.629069D+01  0.358920D+02
      5   0.203981D+02 -0.598987D+01  0.359503D+01  0.876957D+01  0.605382D+01
      6  -0.675323D+01  0.569096D+01 -0.389710D+01 -0.591709D+01 -0.539056D+01
                41            42            43            44            45 
      1  -0.125486D+02 -0.551186D+01 -0.878612D+00 -0.548100D+01 -0.664031D+01
      2   0.386753D+02  0.707438D+01 -0.371039D+00  0.887006D+01  0.316734D+01
      3  -0.261267D+02 -0.156252D+01  0.124965D+01 -0.338906D+01  0.347297D+01
      4  -0.477330D+02 -0.108075D+02  0.113102D+02 -0.141101D+02 -0.145162D+02
      5  -0.685945D+01 -0.995434D+01  0.110832D+02 -0.117309D+02 -0.121826D+02
      6   0.163856D+02  0.172863D+02 -0.764463D+01  0.190674D+02  0.133676D+02
                46            47            48            49            50 
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      5   0.119625D+02  0.244330D+01 -0.225109D+01  0.417366D+01 -0.201332D+01
      6  -0.185869D+02 -0.772352D+00  0.187976D+01 -0.319879D+01  0.215342D+01
               176           177           178           179           180 
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      2   0.257582D+02 -0.307503D+00  0.204622D+00  0.187782D+01  0.129461D+01
      3  -0.190174D+02 -0.486052D-01  0.131066D+01 -0.153118D+01  0.495212D+00
      4  -0.282739D+02  0.125291D+01  0.205342D+01 -0.173175D+01 -0.505495D+01
      5   0.131407D+01 -0.265050D+01  0.360657D+01 -0.372431D+01  0.606469D+00
      6  -0.184365D+01  0.461592D+01 -0.436823D+01  0.569191D+01 -0.969019D+00
 Leave Link  716 at Fri Jul 16 13:26:30 2021, MaxMem=  5637144576 cpu:               2.2 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.918800D+02  0.369233D+00 -0.204294D+01
      2   0.369233D+00  0.905324D+02  0.696500D+00
      3  -0.204294D+01  0.696500D+00  0.754543D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.404926D+01  0.264917D+01 -0.757097D+01
      2  -0.144051D+02  0.505948D+01 -0.135369D+02
      3   0.152817D+02  0.819119D+01  0.133350D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.418254D+02 -0.200288D+02 -0.203754D+02
      2   0.251568D+02  0.265143D+02  0.279602D+01
      3   0.166686D+02 -0.648545D+01  0.175794D+02
      4   0.587268D+01 -0.507016D+01  0.137722D+02
      5  -0.179155D+02  0.957432D+01 -0.247827D+02
      6   0.986803D+01 -0.436097D+01  0.155242D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.528560D+01 -0.239202D+01 -0.166805D+01 -0.946682D+00  0.256800D+01
      2  -0.239202D+01 -0.238848D+00 -0.303226D+00  0.256800D+01  0.240675D+01
      3  -0.166805D+01 -0.303226D+00 -0.269650D+01 -0.480131D+00 -0.181725D+01
                 6             7             8             9            10 
      1  -0.480131D+00 -0.246417D+01 -0.494128D+00 -0.360111D+01  0.753275D+00
      2  -0.181725D+01 -0.494128D+00 -0.110446D+01 -0.779619D+00  0.295548D+01
      3  -0.135665D+00 -0.360111D+01 -0.779619D+00  0.495743D+01  0.140920D-01
                11            12            13            14            15 
      1   0.295548D+01  0.140920D-01  0.192671D+01 -0.451169D+01 -0.901927D+00
      2  -0.405182D+01 -0.142454D+01 -0.451169D+01 -0.136546D+00  0.353907D+01
      3  -0.142454D+01  0.131793D+01 -0.901927D+00  0.353907D+01  0.102939D+01
                16            17            18            19            20 
      1   0.141349D+01 -0.200645D+01  0.718595D+00  0.213729D+01 -0.277664D+01
      2  -0.200645D+01  0.336882D+01  0.161145D+01 -0.277664D+01  0.349559D+01
      3   0.718595D+00  0.161145D+01 -0.402080D+00  0.147166D+01 -0.743406D+00
                21            22            23            24            25 
      1   0.147166D+01 -0.346401D+01  0.327322D+01 -0.110244D+01  0.666654D+00
      2  -0.743406D+00  0.327322D+01  0.591486D+01 -0.225091D+01 -0.711448D+00
      3  -0.207874D+01 -0.110244D+01 -0.225091D+01 -0.196396D+01 -0.141320D+01
                26            27            28            29            30 
      1  -0.711448D+00 -0.141320D+01 -0.254767D+01  0.253903D+01 -0.139354D+01
      2  -0.128548D+01 -0.187622D+01  0.253903D+01 -0.189348D+01  0.303415D+01
      3  -0.187622D+01 -0.375307D+01 -0.139354D+01  0.303415D+01  0.268297D+01
                31            32            33            34            35 
      1   0.411417D+01 -0.216003D+01  0.273335D+01 -0.188696D+01  0.384856D+01
      2  -0.216003D+01 -0.264880D+01  0.909233D+00  0.384856D+01  0.171220D+01
      3   0.273335D+01  0.909233D+00 -0.643208D+00  0.300301D+01 -0.115269D+01
                36            37            38            39            40 
      1   0.300301D+01  0.511465D+01 -0.442425D+01 -0.153474D+01 -0.438605D+01
      2  -0.115269D+01 -0.442425D+01  0.400538D+01  0.814585D+00  0.523818D+01
      3  -0.420287D+01 -0.153474D+01  0.814585D+00  0.636652D+00  0.121959D+01
                41            42            43            44            45 
      1   0.523818D+01  0.121959D+01 -0.233252D+01  0.163811D+01  0.192917D+01
      2  -0.102063D+02 -0.318291D+01  0.163811D+01 -0.334886D+01 -0.377462D+01
      3  -0.318291D+01 -0.210610D+01  0.192917D+01 -0.377462D+01 -0.271394D+01
                46            47            48            49            50 
      1   0.213094D+01  0.756046D+00 -0.148383D+01  0.228615D+00  0.211491D+00
      2   0.756046D+00  0.630121D+00 -0.253080D+00  0.211491D+00  0.112589D+00
      3  -0.148383D+01 -0.253080D+00  0.148480D+01  0.116916D+00 -0.858461D+00
                51            52            53            54            55 
      1   0.116916D+00 -0.257674D+01 -0.233050D+00  0.307086D+01  0.889213D+01
      2  -0.858461D+00 -0.233050D+00 -0.174843D+01  0.108193D+01  0.203624D+01
      3   0.323954D+00  0.307086D+01  0.108193D+01 -0.708304D+01  0.230892D+01
                56            57            58            59            60 
      1   0.203624D+01  0.230892D+01  0.698143D+00  0.960998D+00  0.293832D+00
      2   0.183056D+01  0.405268D+00  0.960998D+00  0.867081D+00  0.817925D+00
      3   0.405268D+00  0.176057D+01  0.293832D+00  0.817925D+00  0.307107D+00
                61            62            63            64            65 
      1   0.390479D+01  0.676788D+00  0.244330D+01  0.433002D+00  0.645849D+00
      2   0.676788D+00  0.148300D+01  0.848676D+00  0.645849D+00 -0.282963D-01
      3   0.244330D+01  0.848676D+00  0.140825D+01  0.105808D+01  0.155885D+00
                66            67            68            69            70 
      1   0.105808D+01  0.165043D+01 -0.252739D+00  0.106053D+00  0.143868D+01
      2   0.155885D+00 -0.252739D+00  0.718882D+00  0.132250D+01  0.233442D+00
      3   0.194122D+01  0.106053D+00  0.132250D+01  0.186617D+01  0.102936D+01
                71            72            73            74            75 
      1   0.233442D+00  0.102936D+01 -0.109781D+01 -0.110268D+01  0.771497D-01
      2   0.124759D+01  0.899238D+00 -0.110268D+01 -0.138500D+01  0.470368D+00
      3   0.899238D+00  0.835661D+01  0.771497D-01  0.470368D+00 -0.233906D+00
                76            77            78            79            80 
      1  -0.172897D+01 -0.152765D+01  0.403382D+00 -0.256758D-01  0.218404D+00
      2  -0.152765D+01 -0.834235D+01  0.240736D+01  0.218404D+00  0.817084D+00
      3   0.403382D+00  0.240736D+01 -0.164813D+01 -0.128859D+00 -0.116256D+01
                81            82            83            84            85 
      1  -0.128859D+00 -0.360651D+01  0.426699D+00  0.250443D+01  0.790487D+00
      2  -0.116256D+01  0.426699D+00 -0.837930D+00 -0.102687D+01 -0.796459D+00
      3   0.140230D+01  0.250443D+01 -0.102687D+01 -0.302836D+01 -0.109297D+01
                86            87            88            89            90 
      1  -0.796459D+00 -0.109297D+01  0.321681D+01 -0.105078D+01 -0.306078D+01
      2   0.145626D+01  0.122938D+01 -0.105078D+01  0.125887D+01  0.122967D+01
      3   0.122938D+01  0.158091D+01 -0.306078D+01  0.122967D+01  0.596810D+01
                91            92            93            94            95 
      1   0.340609D+01 -0.188342D+01  0.131191D+01 -0.335122D+01  0.284427D+01
      2  -0.188342D+01  0.190992D+01 -0.381362D+01  0.284427D+01  0.306489D+01
      3   0.131191D+01 -0.381362D+01 -0.143275D+01 -0.447105D+01 -0.127056D+01
                96            97            98            99           100 
      1  -0.447105D+01  0.588958D+00 -0.460937D+01 -0.958314D+00  0.144684D+01
      2  -0.127056D+01 -0.460937D+01 -0.211434D+01  0.170853D+01 -0.148592D+00
      3   0.100284D+01 -0.958314D+00  0.170853D+01  0.276051D+01 -0.100630D+01
               101           102           103           104           105 
      1  -0.148592D+00 -0.100630D+01 -0.442424D+00 -0.916242D-02  0.602209D+00
      2   0.993733D+00  0.114120D+01 -0.916242D-02 -0.192554D+01 -0.131360D+01
      3   0.114120D+01  0.214163D+01  0.602209D+00 -0.131360D+01 -0.166211D+01
               106           107           108           109           110 
      1  -0.160025D+01  0.478997D+00  0.590202D+00 -0.739549D+01  0.164551D+01
      2   0.478997D+00 -0.159801D+01 -0.198811D+01  0.164551D+01 -0.173125D+01
      3   0.590202D+00 -0.198811D+01 -0.504785D+01 -0.247580D+01  0.926510D+00
               111           112           113           114           115 
      1  -0.247580D+01  0.401874D+01 -0.185924D+01  0.171384D+01 -0.231488D+01
      2   0.926510D+00 -0.185924D+01  0.168705D+01 -0.662643D+00  0.976271D+00
      3  -0.153614D+01  0.171384D+01 -0.662643D+00  0.117964D+01 -0.196476D+01
               116           117           118           119           120 
      1   0.976271D+00 -0.196476D+01 -0.322264D+01 -0.207734D+01  0.689103D+00
      2  -0.486229D+00  0.464671D+00 -0.207734D+01 -0.234909D+01  0.974671D+00
      3   0.464671D+00 -0.192370D+01  0.689103D+00  0.974671D+00 -0.660525D+00
               121           122           123           124           125 
      1  -0.271939D+01 -0.340810D+01  0.106159D+01  0.201163D+01  0.184685D+01
      2  -0.340810D+01 -0.598458D+01  0.149395D+01  0.184685D+01  0.268746D+01
      3   0.106159D+01  0.149395D+01 -0.153406D+01 -0.858256D+00 -0.165262D+01
               126           127           128           129           130 
      1  -0.858256D+00  0.211162D+01  0.201740D+01  0.160844D+01  0.235761D+01
      2  -0.165262D+01  0.201740D+01 -0.258187D+01  0.608499D+00 -0.324638D+01
      3   0.150395D+01  0.160844D+01  0.608499D+00  0.337090D-01  0.737349D+00
               131           132           133           134           135 
      1  -0.324638D+01  0.737349D+00  0.164304D+01  0.922245D+00 -0.290405D-01
      2  -0.500940D+01  0.209216D+01  0.922245D+00  0.342223D+01 -0.272651D+01
      3   0.209216D+01 -0.161094D+01 -0.290405D-01 -0.272651D+01 -0.652134D+01
               136           137           138           139           140 
      1   0.435716D+00 -0.387589D+01 -0.665188D+00 -0.386570D+01  0.412865D+01
      2  -0.387589D+01  0.387275D+01 -0.111416D+01  0.412865D+01  0.307199D+00
      3  -0.665188D+00 -0.111416D+01 -0.150748D+00 -0.948883D+00 -0.986320D+00
               141           142           143           144           145 
      1  -0.948883D+00 -0.110262D+01 -0.697912D+00 -0.198858D+00  0.115354D+01
      2  -0.986320D+00 -0.697912D+00 -0.234566D+01  0.146937D+01  0.163340D+01
      3   0.177712D+01 -0.198858D+00  0.146937D+01  0.655270D+01 -0.718912D+00
               146           147           148           149           150 
      1   0.163340D+01 -0.718912D+00  0.169636D+01  0.236629D+01 -0.389241D+00
      2   0.217126D+01 -0.387888D+00  0.236629D+01  0.106029D+02 -0.184728D+01
      3  -0.387888D+00  0.242045D+00 -0.389241D+00 -0.184728D+01  0.136240D+01
               151           152           153           154           155 
      1  -0.110179D+01 -0.761944D+00  0.475799D+00 -0.261640D+00  0.106664D+00
      2  -0.761944D+00 -0.341689D+01  0.205444D+01  0.106664D+00  0.220719D+00
      3   0.475799D+00  0.205444D+01 -0.597643D+00  0.826861D+00 -0.100896D+00
               156           157           158           159           160 
      1   0.826861D+00  0.609173D-01  0.403307D+00  0.197109D-01  0.160049D+01
      2  -0.100896D+00  0.403307D+00  0.181130D+01  0.135693D+01  0.120007D+00
      3  -0.881101D-01  0.197109D-01  0.135693D+01  0.132007D+01  0.449983D+00
               161           162           163           164           165 
      1   0.120007D+00  0.449983D+00  0.399974D+00  0.431983D+00 -0.777033D+00
      2   0.214375D+01  0.272202D+01  0.431983D+00 -0.196911D+00  0.162470D+00
      3   0.272202D+01  0.769540D+01 -0.777033D+00  0.162470D+00  0.367226D+00
               166           167           168           169           170 
      1  -0.177266D+00 -0.559614D+00  0.211122D-01 -0.172479D+01 -0.312148D+00
      2  -0.559614D+00 -0.449422D+00 -0.830547D+00 -0.312148D+00 -0.140147D+01
      3   0.211122D-01 -0.830547D+00 -0.102880D+01 -0.706283D+00  0.260062D+00
               171           172           173           174           175 
      1  -0.706283D+00 -0.499771D+01  0.348653D+01 -0.147234D+00  0.353953D+01
      2   0.260062D+00  0.348653D+01 -0.383552D+01  0.474083D+00 -0.366335D+01
      3  -0.784572D+01 -0.147234D+00  0.474083D+00 -0.702986D+00  0.357714D+00
               176           177           178           179           180 
      1  -0.366335D+01  0.357714D+00  0.645852D+00 -0.824513D-01 -0.790810D+00
      2   0.575325D+01 -0.148018D+00 -0.824513D-01  0.708820D+00  0.762892D+00
      3  -0.148018D+00  0.583362D+00 -0.790810D+00  0.762892D+00 -0.513990D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.175758D+01  0.516598D+00  0.725358D+00 -0.993265D+00 -0.382860D+00
      2  -0.631807D+01 -0.124637D+01 -0.651160D+01  0.103862D+01 -0.261923D+01
      3   0.483890D+01 -0.866090D+01 -0.360131D+01 -0.422586D+01 -0.275132D+01
                 6             7             8             9            10 
      1  -0.375986D+01  0.143470D+01  0.516182D+01 -0.347969D+01  0.418164D+01
      2   0.176501D+01 -0.131942D+02 -0.358441D+01  0.940188D+01 -0.150997D+02
      3   0.519172D+01 -0.505757D+01  0.205119D+01  0.167392D-01 -0.528472D+01
                11            12            13            14            15 
      1   0.386097D+01 -0.254122D+01  0.418877D+01 -0.135553D+01  0.731891D+01
      2  -0.723884D+01  0.378146D+01 -0.557272D+01  0.745197D+01 -0.202346D+01
      3  -0.630213D+01  0.310946D+01  0.294953D+00  0.299238D+01 -0.861326D+01
                16            17            18            19            20 
      1  -0.567093D+00  0.141149D+02  0.131616D+01 -0.463432D+01  0.246071D+01
      2  -0.125845D+02 -0.394145D+01  0.970851D+01 -0.461725D+01  0.657289D+01
      3  -0.216321D+01 -0.972120D+01  0.428783D+00  0.176967D+01  0.108180D+01
                21            22            23            24            25 
      1  -0.410822D+01  0.271260D+01  0.459686D+01 -0.830514D+01 -0.410517D+01
      2   0.269501D+01  0.804329D+01 -0.529807D+01  0.441843D+01 -0.942488D+01
      3  -0.220640D+01  0.672579D+01 -0.684543D+01  0.265944D+01 -0.271932D+01
                26            27            28            29            30 
      1  -0.294357D+01 -0.680800D+01  0.361051D+01 -0.112370D+01 -0.592359D-01
      2   0.521128D+01  0.809108D+00  0.932684D+01 -0.832956D+01  0.915360D+00
      3   0.333948D+01  0.154915D+01  0.441359D+01 -0.713480D+01  0.693966D+01
                31            32            33            34            35 
      1  -0.198156D+01  0.139098D+01 -0.143922D+01  0.163625D+01  0.590275D+01
      2  -0.132037D+02 -0.108173D+01  0.205877D+01 -0.909867D+00 -0.123445D+01
      3  -0.383701D+00 -0.475444D+01  0.220963D+01  0.953299D+01  0.195125D+01
                36            37            38            39            40 
      1   0.796718D+00 -0.327991D+01 -0.180356D+01  0.422862D+01  0.139236D+01
      2   0.316822D+01  0.100460D+01  0.401443D+01  0.469182D+01  0.417271D+01
      3  -0.318355D+01 -0.846980D+00 -0.323819D+01 -0.457864D+00  0.749542D+01
                41            42            43            44            45 
      1  -0.300458D+00 -0.102413D+02  0.179205D+01 -0.259401D+01 -0.452194D+01
      2  -0.747758D+01 -0.491275D+01  0.397300D+01 -0.209972D+01 -0.825566D+01
      3   0.118972D+02  0.301206D+01  0.473749D+01  0.603785D+01  0.240394D+01
                46            47            48            49            50 
      1   0.121534D+01  0.381589D+00 -0.116150D+01  0.445345D+00 -0.819763D+00
      2  -0.259089D+01 -0.110841D+01  0.425101D+01  0.875332D-01 -0.675150D+00
      3  -0.179894D+00 -0.155363D+01 -0.512065D+00  0.177571D+01  0.108898D+01
                51            52            53            54            55 
      1  -0.957000D+00 -0.270939D+01  0.152019D+01  0.559969D+01 -0.319356D+01
      2   0.875245D-01  0.475328D+01  0.365879D+01 -0.158183D+02  0.979985D+01
      3   0.907252D+00 -0.559136D+00  0.455229D+01 -0.483831D+00  0.574435D+01
                56            57            58            59            60 
      1  -0.984457D+00 -0.157005D+01  0.389637D+00  0.849150D+00 -0.103491D+01
      2   0.260581D+01  0.617604D+01  0.157150D+00  0.101494D+01  0.560974D+00
      3  -0.299882D+01  0.137292D+01  0.458388D+00 -0.132795D+01 -0.177585D+01
                61            62            63            64            65 
      1  -0.268296D+01 -0.606340D-01 -0.117309D+01  0.128290D+01  0.123896D+01
      2   0.654327D+01  0.318685D+01  0.396449D+01  0.560290D+00 -0.134775D+01
      3   0.354819D+01 -0.309623D+01  0.745143D+00  0.125228D+00 -0.233446D+01
                66            67            68            69            70 
      1   0.324186D+01 -0.527276D+00  0.355211D+01  0.352304D+01  0.197071D+01
      2  -0.268264D+01 -0.154680D+01 -0.150599D+00 -0.129670D+01 -0.319076D+01
      3  -0.151033D+01 -0.125362D+00  0.128169D+00 -0.706123D+00 -0.100187D+01
                71            72            73            74            75 
      1   0.521062D+01  0.951035D+01 -0.120537D+01 -0.209556D+01 -0.170165D+00
      2  -0.739625D+00 -0.413282D+01  0.844876D+00  0.121510D+01  0.140736D+01
      3  -0.691981D+00 -0.226487D+01  0.117829D+01 -0.616043D+00  0.903010D+00
                76            77            78            79            80 
      1  -0.169054D+01 -0.766458D+01 -0.156851D+01  0.772011D+00  0.119043D+01
      2   0.311358D+01  0.141284D+01 -0.919929D-01 -0.128594D+01 -0.247814D+00
      3   0.563112D+01  0.873060D+00 -0.239963D+00  0.417635D+00  0.384840D+00
                81            82            83            84            85 
      1  -0.680522D-01 -0.982242D-01 -0.140752D+01 -0.108123D-01 -0.260573D-01
      2  -0.716405D-01 -0.147407D+00  0.116141D+01  0.369874D+01  0.431059D-02
      3   0.135895D+00  0.307617D+00 -0.314158D+01 -0.193641D+01 -0.221671D+00
                86            87            88            89            90 
      1   0.103951D+01 -0.768956D+00  0.269381D+00  0.238263D+01 -0.474106D+00
      2  -0.159612D+00 -0.786444D+00 -0.271944D+01 -0.187108D+00 -0.591612D+01
      3   0.350033D+01  0.204050D+01 -0.241365D+01  0.331330D+01  0.236111D+01
                91            92            93            94            95 
      1   0.177960D+01 -0.618433D+01  0.186568D+01 -0.839896D+01 -0.437314D+01
      2  -0.235874D+01  0.111530D+02  0.782471D+01  0.131613D+02  0.490869D+01
      3  -0.936166D+01  0.418633D+01 -0.126117D+02  0.130850D+02  0.556348D+01
                96            97            98            99           100 
      1   0.908251D-01  0.314761D+01  0.474864D+01  0.167548D+01 -0.778028D+00
      2  -0.635648D+01  0.503455D-01 -0.710944D+01 -0.809334D+01  0.553616D+01
      3   0.125839D+01 -0.132814D+02 -0.755308D+00  0.488408D+01 -0.304929D+01
               101           102           103           104           105 
      1  -0.485971D+00  0.174781D+01  0.549005D+00  0.435096D+00 -0.212463D+01
      2  -0.297517D+01 -0.544416D+01 -0.288909D+01  0.352387D+01  0.481482D+01
      3   0.186631D+01  0.392236D+01  0.216801D+01 -0.436393D+01 -0.407265D+01
               106           107           108           109           110 
      1   0.630405D+00  0.118093D+01 -0.435592D+01 -0.361169D+01  0.290974D+01
      2  -0.559319D+01  0.531303D+01  0.130425D+02  0.202432D+01 -0.131523D+01
      3   0.392922D+01 -0.427432D+01 -0.616038D+01  0.954278D+01 -0.842028D+01
               111           112           113           114           115 
      1  -0.153945D+01  0.234680D+01 -0.226420D+01  0.256454D+00 -0.240188D+01
      2   0.508993D+01 -0.272779D+01  0.870616D+00 -0.301488D+01  0.175532D+01
      3   0.470332D+01 -0.622667D+01  0.713492D+01 -0.268922D+01  0.470670D+01
               116           117           118           119           120 
      1   0.204531D+01 -0.155833D+01  0.190158D+01  0.254363D+01 -0.203841D+01
      2  -0.649124D+00  0.484661D+01 -0.235040D+01 -0.353162D+01  0.305727D+01
      3  -0.297222D+01  0.266314D+01 -0.196240D+01 -0.576885D+01  0.209153D+01
               121           122           123           124           125 
      1   0.301943D+01  0.456039D+01 -0.503984D+01 -0.159251D+01 -0.205634D+01
      2  -0.350173D+01 -0.505123D+01  0.553437D+01  0.113552D+01  0.452536D+01
      3  -0.356524D+01 -0.131468D+02  0.311313D+01  0.191077D+01  0.568477D+01
               126           127           128           129           130 
      1   0.336967D+01 -0.249525D+01 -0.328386D+01 -0.157867D+00 -0.282477D+01
      2  -0.464993D+01  0.167379D+01  0.287073D+01  0.201578D+01  0.884791D+00
      3  -0.360141D+01  0.457557D+01  0.683395D+01  0.322517D+01  0.124842D+02
               131           132           133           134           135 
      1  -0.834861D+01  0.239370D+01  0.120841D+01  0.108483D+02  0.137914D+02
      2   0.276053D+01 -0.680451D+00 -0.426994D+01 -0.179692D+01 -0.391962D+01
      3  -0.546763D+01 -0.616002D+00  0.278684D+01 -0.150405D+01  0.905939D+00
               136           137           138           139           140 
      1   0.380598D+01  0.192795D+00  0.122181D+01 -0.811262D+00  0.419653D+01
      2   0.184381D+01 -0.234623D+01  0.226895D+01 -0.183971D+01  0.389333D+01
      3  -0.825804D+01 -0.667653D+01 -0.346084D+01 -0.230217D+00  0.897694D+01
               141           142           143           144           145 
      1  -0.521855D+01  0.530963D+00  0.126963D+01 -0.111390D+02  0.194050D+01
      2  -0.240007D+01 -0.277083D+01 -0.270426D+01 -0.517117D+01 -0.268123D+00
      3  -0.215579D+01 -0.314750D+01 -0.368875D+01  0.191499D+01  0.191023D+01
               146           147           148           149           150 
      1   0.179043D+01 -0.130713D+01  0.147482D+01  0.651468D+01 -0.613968D+01
      2  -0.115307D+01  0.107530D+01 -0.387078D-01 -0.228546D+01  0.155692D+01
      3   0.126168D+00 -0.128953D+01  0.526594D+01 -0.263963D+01  0.284456D+00
               151           152           153           154           155 
      1  -0.109013D+01 -0.434898D+01  0.201154D+01 -0.193641D+01  0.172160D+00
      2  -0.945793D+00  0.152466D+01 -0.385299D+00  0.549162D+00 -0.673613D-01
      3  -0.336026D+01  0.109216D+01 -0.238278D+00 -0.113490D+01 -0.142505D+01
               156           157           158           159           160 
      1   0.511001D+00  0.194602D+00 -0.184322D+01 -0.312047D+01 -0.555402D+00
      2   0.792418D+00 -0.453484D+00  0.601983D+00  0.980109D+00 -0.286498D+01
      3   0.177231D+01  0.218231D+00  0.311399D-02 -0.680424D+00  0.427357D+01
               161           162           163           164           165 
      1  -0.166808D+01 -0.166693D+02  0.126923D+01 -0.441878D-01 -0.898081D+00
      2   0.150500D+01  0.514298D+01  0.129847D+01  0.154106D+00  0.124157D+00
      3  -0.110163D+01 -0.591726D+00  0.115863D+01 -0.183356D+00 -0.126474D+01
               166           167           168           169           170 
      1   0.750486D+00  0.208605D+01  0.114998D+01  0.101842D+01  0.376627D+01
      2  -0.723073D+00 -0.110872D+00  0.129096D+01 -0.409940D+01 -0.293628D+00
      3   0.399267D+00 -0.165487D+01 -0.698666D+00 -0.323153D+01 -0.161739D+01
               171           172           173           174           175 
      1   0.119091D+02 -0.151209D+01  0.134555D+01  0.202000D+01  0.811605D+00
      2   0.722700D+01 -0.173336D+01  0.125942D+01  0.250130D+01  0.183344D+01
      3  -0.800452D+00 -0.567117D+01 -0.907577D+00  0.463831D+00  0.491780D+01
               176           177           178           179           180 
      1  -0.221631D+01 -0.274304D+01  0.147780D+01 -0.403124D+00  0.614856D+00
      2  -0.152926D+01 -0.150467D+01 -0.298123D+00 -0.521737D+00  0.124538D+00
      3   0.978170D+00  0.549450D+00  0.109204D+01  0.101595D+01 -0.684412D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.236979D+02 -0.140878D+02 -0.958666D+01 -0.784958D+00  0.165729D+01
      2   0.153530D+02  0.132851D+02  0.213797D+01  0.335964D+01  0.640606D+01
      3   0.834491D+01  0.802720D+00  0.744869D+01 -0.257469D+01 -0.806336D+01
      4  -0.143947D+02 -0.760015D+01 -0.577603D+01  0.402980D+01  0.666844D+01
      5  -0.115529D+02 -0.288106D+01 -0.124885D+02 -0.560530D+00 -0.300491D+01
      6  -0.336919D+01  0.583268D-01 -0.163162D+01 -0.289893D+00 -0.973843D+00
                 6             7             8             9            10 
      1  -0.165700D+01 -0.130523D+02 -0.458420D+01 -0.103551D+02  0.947009D+00
      2   0.679869D+00  0.222835D+01 -0.227165D+01  0.169495D+02 -0.884566D+01
      3   0.977127D+00  0.108240D+02  0.685585D+01 -0.659444D+01  0.789865D+01
      4  -0.485887D+01 -0.944716D+01 -0.381502D+01 -0.850818D+01  0.136572D+02
      5  -0.162489D+00 -0.167601D+02 -0.504957D+01  0.168305D+02  0.530404D+01
      6   0.118633D+01 -0.569694D+01 -0.842875D+00  0.105112D+02 -0.147204D+01
                11            12            13            14            15 
      1  -0.126738D+01 -0.463032D+01 -0.103753D+01 -0.132897D+01  0.204974D+01
      2   0.974992D+01  0.115255D+00  0.654820D+01 -0.136733D+02 -0.409386D+01
      3  -0.848254D+01  0.451506D+01 -0.551067D+01  0.150023D+02  0.204412D+01
      4  -0.162142D+02 -0.270134D+01 -0.260084D+02  0.206691D+02  0.981076D+01
      5  -0.179173D+01  0.414160D+00 -0.613581D+01  0.558229D+01  0.483333D+01
      6   0.597765D+01  0.973814D+00  0.247597D+01 -0.132570D+02 -0.993812D+01
                16            17            18            19            20 
      1   0.459036D+01  0.373206D+00  0.381375D+01 -0.485737D+01  0.503102D+01
      2   0.107379D+01 -0.940685D+01 -0.922661D+01  0.287603D+01 -0.428829D+01
      3  -0.566415D+01  0.903364D+01  0.541286D+01  0.198134D+01 -0.742726D+00
      4  -0.112711D+02  0.171979D+02  0.578418D+01 -0.679949D+01  0.549557D+01
      5   0.431931D+01  0.160521D+01  0.732542D+01 -0.616935D+01  0.215150D+01
      6   0.995848D+00 -0.317203D+01 -0.485202D+01 -0.247340D+01  0.205001D+01
                21            22            23            24            25 
      1   0.516844D+01  0.959798D+01  0.142007D+02  0.539925D+01  0.245726D+00
      2   0.537162D+01 -0.888079D+01 -0.192828D+02  0.995881D+01  0.292878D+01
      3  -0.105401D+02 -0.717194D+00  0.508203D+01 -0.153581D+02 -0.317450D+01
      4   0.977223D+00  0.628603D+01 -0.686700D+01  0.325417D+00  0.265667D+01
      5   0.261943D+01  0.386396D+01  0.231622D+01 -0.286223D+01  0.293200D+01
      6   0.124045D+01  0.303049D+01  0.131206D+02  0.257158D+00 -0.478679D+00
                26            27            28            29            30 
      1   0.504215D+01  0.123355D+02 -0.557633D+00 -0.558336D+01  0.566865D+01
      2   0.635216D+01  0.988663D+01  0.234191D+01 -0.402898D+00 -0.491989D+01
      3  -0.113943D+02 -0.222221D+02 -0.178428D+01  0.598626D+01 -0.748767D+00
      4  -0.997810D+00 -0.326642D+01 -0.404120D+00 -0.172588D+01 -0.969867D+01
      5  -0.240005D+01 -0.879351D+01  0.912023D+01 -0.108228D+02 -0.156856D+02
      6   0.243363D+01  0.135041D+01 -0.526443D+01 -0.337388D+01  0.158421D+01
                31            32            33            34            35 
      1  -0.813153D+01  0.298879D+01 -0.120237D+02  0.576432D+00 -0.112327D+02
      2   0.212473D+01 -0.701711D-01  0.527739D+01 -0.509932D+01  0.586355D+01
      3   0.600679D+01 -0.291862D+01  0.674632D+01  0.452289D+01  0.536919D+01
      4  -0.644872D+01  0.648245D+01 -0.103650D+01 -0.934181D+01 -0.512904D+01
      5  -0.163571D+02 -0.188934D+01  0.566677D+01 -0.141096D+02  0.489393D+01
      6  -0.134075D+01 -0.230582D+01 -0.463944D+01  0.161169D+01 -0.181693D+01
                36            37            38            39            40 
      1  -0.116957D+02  0.198907D+02 -0.670846D+01 -0.263683D+01 -0.488533D+01
      2   0.816287D+01  0.599921D-01 -0.784884D+01  0.146588D+01 -0.106360D+02
      3   0.353281D+01 -0.199507D+02  0.145573D+02  0.117095D+01  0.155214D+02
      4   0.405451D+01 -0.303298D+02  0.312244D+02  0.629069D+01  0.358920D+02
      5   0.203981D+02 -0.598987D+01  0.359503D+01  0.876957D+01  0.605382D+01
      6  -0.675323D+01  0.569096D+01 -0.389710D+01 -0.591709D+01 -0.539056D+01
                41            42            43            44            45 
      1  -0.125486D+02 -0.551186D+01 -0.878612D+00 -0.548100D+01 -0.664031D+01
      2   0.386753D+02  0.707438D+01 -0.371039D+00  0.887006D+01  0.316734D+01
      3  -0.261267D+02 -0.156252D+01  0.124965D+01 -0.338906D+01  0.347297D+01
      4  -0.477330D+02 -0.108075D+02  0.113102D+02 -0.141101D+02 -0.145162D+02
      5  -0.685945D+01 -0.995434D+01  0.110832D+02 -0.117309D+02 -0.121826D+02
      6   0.163856D+02  0.172863D+02 -0.764463D+01  0.190674D+02  0.133676D+02
                46            47            48            49            50 
      1   0.927546D+01  0.300434D+01 -0.484008D+01 -0.146689D+00 -0.186767D+01
      2  -0.875558D+01 -0.261113D+01  0.551836D+01  0.104854D+01  0.357109D-01
      3  -0.519880D+00 -0.393204D+00 -0.678282D+00 -0.901852D+00  0.183196D+01
      4   0.577827D+01  0.481158D+01 -0.303017D+01  0.382800D+01  0.147722D+01
      5  -0.825024D+01 -0.170170D+01  0.112992D+02  0.418858D+00 -0.394468D+01
      6  -0.324852D+01 -0.142591D+01  0.250164D+01 -0.235593D+01 -0.216608D+01
                51            52            53            54            55 
      1   0.172347D+01 -0.645404D+01  0.268740D+01 -0.285011D+00  0.500024D+02
      2  -0.225833D+01  0.106535D+02 -0.145053D+00 -0.190965D+02 -0.278453D+02
      3   0.534855D+00 -0.419950D+01 -0.254235D+01  0.193815D+02 -0.221571D+02
      4  -0.437549D+01 -0.407244D+01 -0.630442D+01  0.766148D+01  0.221327D+02
      5   0.640073D+00  0.170427D+02  0.493979D+01 -0.292346D+02  0.160286D+02
      6   0.624200D+01  0.543521D+01  0.585698D+01 -0.128286D+02  0.349485D+01
                56            57            58            59            60 
      1   0.104671D+02  0.122281D+02  0.707625D+00  0.365383D+01  0.117738D+01
      2  -0.505190D+01 -0.731691D+01  0.164989D+01  0.193391D+00  0.358615D+00
      3  -0.541516D+01 -0.491114D+01 -0.235751D+01 -0.384722D+01 -0.153600D+01
      4   0.136590D+02  0.517609D+01  0.102243D+02  0.588968D+01  0.394585D+01
      5   0.307825D+01  0.115235D+02  0.151036D+01  0.421715D+01  0.142919D+01
      6   0.128460D+01  0.309764D+01  0.140939D+01  0.972360D+00  0.246378D+01
                61            62            63            64            65 
      1   0.187660D+02  0.363305D+01  0.951714D+01  0.121831D+01 -0.817084D+00
      2  -0.120699D+02 -0.352591D+00 -0.876888D+01 -0.546108D+01  0.450161D+00
      3  -0.669606D+01 -0.328046D+01 -0.748253D+00  0.424277D+01  0.366923D+00
      4   0.903420D+01  0.706063D+01  0.710386D+01  0.280045D+00  0.106346D+01
      5   0.157332D+02  0.561161D+01  0.968925D+01  0.484765D+01  0.714148D+00
      6   0.463280D+01  0.323475D+01  0.186100D+01  0.214083D+00  0.110082D+01
                66            67            68            69            70 
      1  -0.490107D+01 -0.868129D+00 -0.437043D+01 -0.497288D+01 -0.207397D+01
      2  -0.479205D+01  0.947317D+00 -0.105318D+01 -0.595333D+01 -0.239765D+01
      3   0.969311D+01 -0.791882D-01  0.542361D+01  0.109262D+02  0.447162D+01
      4  -0.648101D+00 -0.102132D+01  0.159080D+01  0.120349D+01 -0.190750D+01
      5   0.852248D+01  0.121930D+01  0.116312D+01  0.180188D+01  0.588475D+01
      6  -0.257434D+01  0.708376D+00  0.756096D+00  0.380449D+01 -0.680146D+00
                71            72            73            74            75 
      1  -0.172055D+01 -0.244345D+02  0.293582D+00 -0.111483D+01  0.498932D+00
      2  -0.372273D+01 -0.200281D+02  0.270683D+01  0.212440D+01 -0.320498D+00
      3   0.544327D+01  0.444626D+02 -0.300041D+01 -0.100958D+01 -0.178434D+00
      4   0.786703D+00  0.113867D+01  0.442561D+01  0.818875D+01 -0.206343D+01
      5   0.827003D+00  0.758269D+01 -0.232310D+01 -0.352129D+01  0.325450D+01
      6   0.460372D+01 -0.690899D+01 -0.261952D+01 -0.312217D+01  0.211664D+01
                76            77            78            79            80 
      1  -0.226886D+01 -0.216259D+02  0.790958D+01 -0.578670D+00  0.293168D+01
      2   0.450177D+01  0.316820D+02 -0.677115D+01  0.267687D+00 -0.726143D+00
      3  -0.223291D+01 -0.100560D+02 -0.113843D+01  0.310982D+00 -0.220554D+01
      4   0.750492D+01  0.825321D+01 -0.210550D+01 -0.973138D+00 -0.990300D+00
      5  -0.226695D+01 -0.272199D+01  0.173712D+01  0.172592D+01  0.220707D+01
      6  -0.345265D+01 -0.204600D+02  0.114146D+02  0.168487D+01  0.850403D+01
                81            82            83            84            85 
      1  -0.592146D+01  0.151854D+02 -0.111791D+01 -0.840183D+01 -0.199547D+01
      2   0.183478D+01 -0.130920D+02  0.175534D+01  0.991391D+01  0.259976D+01
      3   0.408668D+01 -0.209339D+01 -0.637425D+00 -0.151208D+01 -0.604294D+00
      4   0.189387D+01 -0.405059D+01  0.630756D+01  0.542107D+01  0.645609D+01
      5  -0.716662D+00 -0.175352D+02  0.563088D+01  0.188887D+02  0.612046D+01
      6  -0.553370D+01  0.402166D+01 -0.142228D+01 -0.261768D+01 -0.335095D+01
                86            87            88            89            90 
      1  -0.439099D+00  0.143448D+01 -0.779377D+01  0.642497D+00  0.199719D+01
      2  -0.321973D+00 -0.257624D+01  0.113094D+02 -0.231004D+01 -0.164769D+02
      3   0.761072D+00  0.114175D+01 -0.351559D+01  0.166755D+01  0.144797D+02
      4  -0.511253D+01 -0.568532D+01  0.419702D+01 -0.478287D+01 -0.714551D+01
      5  -0.656849D+01 -0.721982D+01  0.193576D+02 -0.624241D+01 -0.287359D+02
      6   0.373445D+01  0.766050D+01 -0.429382D+01  0.525308D+01  0.656757D+01
                91            92            93            94            95 
      1  -0.172895D+02  0.897167D+01 -0.169576D+02  0.162063D+02 -0.993816D+01
      2   0.115048D+02 -0.121408D+02  0.101934D+02 -0.180208D+02 -0.987427D+00
      3   0.578465D+01  0.316918D+01  0.676418D+01  0.181452D+01  0.109256D+02
      4   0.774570D+01 -0.978209D+01  0.164961D+02 -0.123717D+02 -0.162807D+02
      5  -0.951812D+01  0.201889D+02  0.265235D+01  0.256453D+02  0.730891D+01
      6   0.518882D+01  0.716109D+01  0.744101D+01  0.738492D+01  0.576084D+01
                96            97            98            99           100 
      1   0.240219D+02 -0.131220D+02  0.223436D+02  0.103355D+02 -0.558169D+01
      2  -0.765146D+01  0.115186D+02 -0.549923D+01 -0.437626D+01  0.155826D+01
      3  -0.163704D+02  0.160338D+01 -0.168444D+02 -0.595921D+01  0.402343D+01
      4   0.111421D+02  0.208420D+02  0.136798D+02 -0.294501D+01 -0.354728D+01
      5  -0.191953D+01  0.305768D-01 -0.334764D+01 -0.713835D+01  0.162680D+00
      6  -0.419998D+01  0.683211D+01 -0.487993D+01 -0.460052D+01  0.238066D+01
               101           102           103           104           105 
      1   0.334960D+01  0.999003D+01  0.274709D+01 -0.637618D+01 -0.935652D+01
      2  -0.199661D+01 -0.226293D+01 -0.486894D+00  0.568489D+01  0.404963D+01
      3  -0.135299D+01 -0.772711D+01 -0.226020D+01  0.691288D+00  0.530689D+01
      4  -0.761143D+00 -0.165954D+01  0.365932D+01  0.630139D+01  0.263779D+01
      5  -0.316001D+01 -0.338372D+01 -0.181802D+01  0.325374D+01  0.523613D+01
      6  -0.448691D+01 -0.577636D+01 -0.213897D+01  0.678469D+01  0.937332D+01
               106           107           108           109           110 
      1   0.106603D+02 -0.936589D+01 -0.170128D+02  0.506322D+02 -0.120358D+02
      2  -0.434773D+01  0.358149D+01 -0.130559D+01 -0.305448D+02  0.883012D+01
      3  -0.631259D+01  0.578440D+01  0.183184D+02 -0.200874D+02  0.320565D+01
      4   0.105460D+01  0.419295D+01  0.425862D+01 -0.653680D+01  0.112734D+02
      5   0.264163D+01  0.599900D+01  0.152633D+02  0.212064D+02 -0.665626D+01
      6  -0.255192D+01  0.978169D+01  0.151740D+02 -0.101705D+01  0.168197D+01
               111           112           113           114           115 
      1   0.144734D+02 -0.235616D+02  0.102074D+02 -0.811140D+01  0.148003D+02
      2  -0.116225D+02  0.153214D+02 -0.532729D+01  0.609459D+01 -0.122365D+02
      3  -0.285091D+01  0.824023D+01 -0.488015D+01  0.201680D+01 -0.256385D+01
      4  -0.341211D+01  0.110060D+02 -0.998360D+01  0.313583D+01 -0.371901D+01
      5   0.140275D+02 -0.122430D+02  0.512550D+01 -0.808072D+01  0.159537D+02
      6  -0.515256D+00  0.207130D+01 -0.360772D+01  0.234001D+01 -0.891828D+00
               116           117           118           119           120 
      1  -0.520044D+01  0.805317D+01  0.176162D+02  0.933512D+01 -0.280127D+01
      2   0.398182D+01 -0.895230D+01 -0.483770D+01  0.139186D+01 -0.306268D+00
      3   0.121862D+01  0.899129D+00 -0.127785D+02 -0.107270D+02  0.310754D+01
      4   0.234068D+01 -0.227518D+01  0.168610D+02  0.184795D+02 -0.687490D+01
      5  -0.441382D+01  0.129195D+02 -0.373435D+01 -0.582583D+01  0.589709D+01
      6   0.299797D+01  0.370615D+00 -0.247248D+01 -0.155767D+01  0.167691D+01
               121           122           123           124           125 
      1   0.108748D+02  0.525723D+01 -0.345352D+01 -0.824344D+01 -0.460352D+01
      2   0.314671D+01  0.146503D+02 -0.310790D+01  0.147683D+01 -0.349468D+01
      3  -0.140215D+02 -0.199075D+02  0.656142D+01  0.676661D+01  0.809820D+01
      4   0.240729D+02  0.346469D+02 -0.932184D+01 -0.122172D+02 -0.148128D+02
      5  -0.584502D+01 -0.802084D+01  0.831569D+01  0.717737D+01  0.902887D+01
      6  -0.242219D+01 -0.420156D+01  0.665130D+01  0.300862D+01  0.694022D+01
               126           127           128           129           130 
      1   0.729258D+00 -0.172297D+01  0.866765D+01 -0.149898D+00  0.121073D+02
      2   0.128690D+01  0.486597D+01 -0.139165D+02  0.305218D+01 -0.170385D+02
      3  -0.201616D+01 -0.314301D+01  0.524884D+01 -0.290229D+01  0.493114D+01
      4   0.907761D+01  0.241946D+01  0.438717D-01  0.514597D+01  0.195339D+01
      5  -0.930856D+01  0.212583D+01  0.171677D+01 -0.471562D+00 -0.636184D+00
      6  -0.573464D+01  0.604629D+01  0.352289D+01 -0.341283D-01  0.455643D+01
               131           132           133           134           135 
      1   0.166235D+02 -0.481008D+01 -0.170091D+00 -0.409144D+01  0.150670D+02
      2  -0.305639D+02  0.116037D+02  0.327004D+01  0.165086D+02 -0.994543D+01
      3   0.139404D+02 -0.679357D+01 -0.309994D+01 -0.124172D+02 -0.512155D+01
      4  -0.171851D+02  0.565290D+01  0.459405D+01  0.662179D+01 -0.282363D+01
      5   0.403810D+01 -0.787593D+00  0.812507D+00 -0.306622D+01 -0.619363D+01
      6   0.143236D+02 -0.768985D+01 -0.118212D+01 -0.133788D+02 -0.262675D+02
               136           137           138           139           140 
      1   0.305290D+01  0.294628D+00  0.127034D+01 -0.364146D+01 -0.781242D+01
      2  -0.124877D+02  0.112676D+02 -0.273237D+01  0.144281D+02 -0.160509D+01
      3   0.943478D+01 -0.115622D+02  0.146203D+01 -0.107866D+02  0.941751D+01
      4   0.126451D+02 -0.206899D+02 -0.553748D+00 -0.188250D+02  0.140933D+02
      5   0.153623D+01  0.272691D+01  0.209907D+01  0.359223D+01 -0.769217D+00
      6  -0.281630D+01 -0.235810D+01 -0.161914D+01 -0.263604D+01 -0.358528D+01
               141           142           143           144           145 
      1   0.519353D+01  0.117680D+01  0.375783D+01  0.785246D+01 -0.119072D+01
      2  -0.113255D+01  0.206650D-01 -0.482733D+01  0.108743D+02  0.719117D+01
      3  -0.406097D+01 -0.119746D+01  0.106949D+01 -0.187267D+02 -0.600045D+01
      4  -0.127198D+01 -0.109775D+00  0.322222D+01  0.419702D+00  0.846551D+01
      5  -0.256528D+01  0.266678D+01 -0.107336D+01 -0.937145D+01 -0.164190D+01
      6   0.522350D+01  0.410069D+00  0.389743D+01  0.163590D+02 -0.411965D+01
               146           147           148           149           150 
      1  -0.351706D+01  0.917789D-01 -0.506698D+01 -0.336521D+02  0.599868D+01
      2   0.105771D+02 -0.143249D+01  0.124402D+02  0.625895D+02 -0.108634D+02
      3  -0.706007D+01  0.134071D+01 -0.737325D+01 -0.289375D+02  0.486474D+01
      4   0.141600D+02 -0.358674D+01  0.122506D+02  0.239636D+02 -0.419483D+01
      5  -0.195071D+01  0.249601D+01 -0.165650D+01 -0.285931D+01  0.265665D+01
      6  -0.268130D+01  0.203586D+01 -0.288947D+01 -0.144720D+02  0.104745D+02
               151           152           153           154           155 
      1   0.120983D+01  0.108441D+02 -0.753428D+01  0.339206D+00 -0.116235D-01
      2  -0.326592D+01 -0.179082D+02  0.858023D+01 -0.237907D+01  0.783207D+00
      3   0.205609D+01  0.706408D+01 -0.104596D+01  0.203986D+01 -0.771584D+00
      4  -0.516006D+01 -0.734350D+01  0.433935D+01 -0.498743D+00  0.315481D+01
      5   0.255922D+01  0.373425D+01 -0.167460D+01  0.105726D+01  0.165553D+01
      6   0.320525D+01  0.143979D+02 -0.592171D+01  0.381697D+01 -0.832347D+00
               156           157           158           159           160 
      1   0.147200D+01 -0.143107D+01 -0.762790D+01 -0.550321D+01  0.124198D+01
      2  -0.141329D+01  0.218083D+01  0.902223D+01  0.427863D+01 -0.107851D+01
      3  -0.587106D-01 -0.749758D+00 -0.139433D+01  0.122457D+01 -0.163470D+00
      4   0.384483D+01  0.209002D+01  0.301949D+01  0.114073D+01  0.530654D+01
      5   0.587357D+01  0.863738D+00  0.118462D+01  0.117103D+01  0.417517D+01
      6  -0.700564D+00  0.149564D+00  0.688486D+01  0.101846D+02  0.214341D+01
               161           162           163           164           165 
      1  -0.992814D+01 -0.194371D+02 -0.163840D+01 -0.443393D+00  0.160093D+01
      2   0.704236D+01  0.865435D+00 -0.450520D+00 -0.102651D+01  0.158524D+00
      3   0.288578D+01  0.185717D+02  0.208892D+01  0.146990D+01 -0.175945D+01
      4   0.233604D+01  0.356512D+01 -0.270102D+00  0.384637D+01 -0.134658D+01
      5   0.329124D+01  0.872909D+01  0.839899D+00 -0.198949D+00  0.497304D+01
      6   0.168470D+02  0.340918D+02 -0.120937D+01  0.440515D+00  0.191679D+01
               166           167           168           169           170 
      1   0.109812D+01 -0.615528D+00 -0.328282D+00  0.197636D+01  0.383470D+01
      2  -0.272808D+01 -0.110259D+01 -0.373117D+01 -0.272371D+01 -0.387779D+01
      3   0.162996D+01  0.171811D+01  0.405945D+01  0.747342D+00  0.430921D-01
      4   0.303921D+01 -0.125047D+01  0.136715D+01 -0.282947D+01  0.257884D+01
      5   0.244368D+00  0.113452D+01  0.271463D+01  0.504750D+01 -0.720488D+00
      6   0.284615D+00 -0.115351D+01  0.274346D+01 -0.180232D+01  0.511514D+01
               171           172           173           174           175 
      1  -0.148977D+02  0.105895D+02 -0.192410D+01 -0.280872D+00  0.234225D+00
      2  -0.150289D+02  0.498798D+01 -0.111775D+02  0.553949D+00 -0.120137D+02
      3   0.299266D+02 -0.155775D+02  0.131015D+02 -0.273077D+00  0.117795D+02
      4  -0.276190D+01 -0.272096D+02  0.255974D+02 -0.130417D+01  0.242625D+02
      5   0.119625D+02  0.244330D+01 -0.225109D+01  0.417366D+01 -0.201332D+01
      6  -0.185869D+02 -0.772352D+00  0.187976D+01 -0.319879D+01  0.215342D+01
               176           177           178           179           180 
      1  -0.674073D+01  0.356109D+00 -0.151528D+01 -0.346646D+00 -0.178982D+01
      2   0.257582D+02 -0.307503D+00  0.204622D+00  0.187782D+01  0.129461D+01
      3  -0.190174D+02 -0.486052D-01  0.131066D+01 -0.153118D+01  0.495212D+00
      4  -0.282739D+02  0.125291D+01  0.205342D+01 -0.173175D+01 -0.505495D+01
      5   0.131407D+01 -0.265050D+01  0.360657D+01 -0.372431D+01  0.606469D+00
      6  -0.184365D+01  0.461592D+01 -0.436823D+01  0.569191D+01 -0.969019D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130127D+01      0.330751D+01      0.110327D+02
   x         -0.635029D+00     -0.161408D+01     -0.538400D+01
   y          0.103621D+01      0.263379D+01      0.878537D+01
   z          0.465101D+00      0.118217D+01      0.394329D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.815558D+02      0.120853D+02      0.134467D+02
   aniso      0.149854D+02      0.222061D+01      0.247076D+01
   xx         0.871451D+02      0.129136D+02      0.143683D+02
   yx         0.737019D+00      0.109215D+00      0.121518D+00
   yy         0.856738D+02      0.126956D+02      0.141257D+02
   zx        -0.169420D+01     -0.251055D+00     -0.279336D+00
   zy         0.474104D+00      0.702549D-01      0.781691D-01
   zz         0.718484D+02      0.106468D+02      0.118462D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.859556D+02      0.127373D+02      0.141722D+02
   aniso      0.162440D+02      0.240711D+01      0.267827D+01
   xx         0.918800D+02      0.136152D+02      0.151490D+02
   yx         0.369233D+00      0.547146D-01      0.608782D-01
   yy         0.905324D+02      0.134155D+02      0.149268D+02
   zx        -0.204294D+01     -0.302732D+00     -0.336835D+00
   zy         0.696500D+00      0.103211D+00      0.114837D+00
   zz         0.754543D+02      0.111812D+02      0.124407D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.68190103          1.88501620         -0.55401912
     6          1.37098683         -0.18686918         -2.05747469
     6          0.25122016         -2.28063798         -0.47487676
     6         -1.63922935         -1.27838855          1.53051943
     8          1.25092154         -0.13710179         -4.33914099
     1          2.18241002          3.68354961         -1.43514127
     1          4.71897195          1.65056613         -0.82270585
     1          1.83495988         -3.19691212          0.49271277
     1         -0.62332898         -3.67573582         -1.70938844
     1         -1.56407535         -2.58405779          3.13002879
     6         -4.33594566         -1.27066845          0.50429118
     1         -4.46874226         -0.09896820         -1.19123260
     1         -5.65351164         -0.51319252          1.90091934
     1         -4.95652611         -3.17401542          0.00748489
     6          1.95595982          1.85488962          2.24875860
     6         -0.87976723          1.37005223          2.49220987
     1          2.47142246          3.64706536          3.12965759
     1          3.00940734          0.38761082          3.25452885
     1         -1.87598856          2.80397015          1.37873022
     1         -1.51312664          1.60657425          4.44109295

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130127D+01      0.330751D+01      0.110327D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.130127D+01      0.330751D+01      0.110327D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.815558D+02      0.120853D+02      0.134467D+02
   aniso      0.149854D+02      0.222061D+01      0.247076D+01
   xx         0.824986D+02      0.122250D+02      0.136022D+02
   yx         0.699503D+01      0.103656D+01      0.115332D+01
   yy         0.776227D+02      0.115025D+02      0.127982D+02
   zx        -0.248562D+01     -0.368331D+00     -0.409823D+00
   zy         0.266368D+01      0.394716D+00      0.439181D+00
   zz         0.845461D+02      0.125284D+02      0.139398D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.859556D+02      0.127373D+02      0.141722D+02
   aniso      0.162440D+02      0.240711D+01      0.267827D+01
   xx         0.865826D+02      0.128302D+02      0.142755D+02
   yx         0.744826D+01      0.110372D+01      0.122805D+01
   yy         0.815348D+02      0.120822D+02      0.134433D+02
   zx        -0.275500D+01     -0.408249D+00     -0.454238D+00
   zy         0.277939D+01      0.411863D+00      0.458260D+00
   zz         0.897493D+02      0.132995D+02      0.147977D+02

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 BRING ME INTO THE COMPANY OF THOSE WHO SEEK TRUTH,
 AND DELIVER ME FROM THOSE WHO HAVE FOUND IT.
 Job cpu time:       0 days  2 hours 10 minutes 22.6 seconds.
 Elapsed time:       0 days  0 hours 16 minutes 24.9 seconds.
 File lengths (MBytes):  RWF=    223 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:26:30 2021.
